GD019783

Name:

None

Formula:

C236H304O169N70P24

Smiles:

Cc1cn([C@@H]2C[C@H](OP(=O)(O)O)[C@H](COP(=O)(O)O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(=O)(O)O[C@@H]3[C@H](COP(=O)(O)O[C@@H]4[C@H](COP(=O)(O)O[C@@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@H]5COP(=O)(O)O[C@@H]5[C@H](COP(=O)(O)O[C@@H]6C[C@H](n7cc(C)c(=O)[nH]c7=O)O[C@H]6COP(=O)(O)O[C@@H]6C[C@H](n7cc(C)c(=O)[nH]c7=O)O[C@H]6COP(=O)(O)O[C@@H]6C[C@H](n7cc(C)c(=O)[nH]c7=O)O[C@H]6COP(=O)(O)O[C@@H]6C[C@H](n7cc(C)c(=O)[nH]c7=O)O[C@H]6COP(=O)(O)O[C@@H]6[C@H](COP(=O)(O)O[C@@H]7[C@H](COP(=O)(O)O[C@@H]8C[C@H](n9cc(C)c(=O)[nH]c9=O)O[C@H]8COP(=O)(O)O[C@@H]8[C@H](COP(=O)(O)O[C@@H]9C[C@H](n%10cc(C)c(=O)[nH]c%10=O)O[C@H]9COP(=O)(O)O[C@@H]9C[C@H](n%10cc(C)c(=O)[nH]c%10=O)O[C@H]9COP(=O)(O)O[C@@H]9C[C@H](n%10cc(C)c(=O)[nH]c%10=O)O[C@H]9COP(=O)(O)O[C@@H]9C[C@H](n%10cc(C)c(=O)[nH]c%10=O)O[C@H]9COP(=O)(O)O[C@@H]9[C@H](COP(=O)(O)O[C@@H]%10[C@H](COP(=O)(O)O[C@@H]%11C[C@H](n%12cc(C)c(=O)[nH]c%12=O)O[C@H]%11COP(=O)(O)O[C@@H]%11[C@H](COP(=O)(O)O[C@@H]%12[C@H](COP(=O)(O)O[C@@H]%13C[C@H](n%14cc(C)c(=O)[nH]c%14=O)O[C@H]%13CO)O[C@H](n%13ccc(N)nc%13=O)[C@H]%12O)O[C@H](n%12cnc%13c(=O)[nH]c(N)nc%13%12)[C@H]%11O)O[C@H](n%11ccc(N)nc%11=O)[C@H]%10O)O[C@H](n%10cnc%11c(=O)[nH]c(N)nc%11%10)[C@H]9O)O[C@H](n9cnc%10c(=O)[nH]c(N)nc%109)[C@H]8O)O[C@H](n8ccc(N)nc8=O)[C@H]7O)O[C@H](n7cnc8c(=O)[nH]c(N)nc87)[C@H]6O)O[C@H](n6cnc7c(=O)[nH]c(N)nc76)[C@H]5O)O[C@H](n5ccc(N)nc5=O)[C@H]4O)O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H]3O)O2)c(=O)[nH]c1=O

Aglycone:

COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO.COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.Cc1cn(C2CC(OP(=O)(O)O)C(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1255961

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

AD00115

Formula: C4H5ON3

Smiles:

Nc1cc[nH]c(=O)n1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	71.77	NumAromaticRings:	1

AD00207

Formula: C5H4ON5

Smiles:

Nc1nc2c(c(=O)[nH]1)N=C[N]2

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.74	Num_rotatable_bonds:	0
MolWt:	150.12	Num_heavy_atoms:	11
TPSA:	98.23	NumAromaticRings:	1

AD01892

Formula: C11H18O11N2P2

Smiles:

COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O

HBA:	13	RingCount:	2
HBD:	4	FractionCSP3:	0.64
AlogP:	-0.63	Num_rotatable_bonds:	7
MolWt:	416.22	Num_heavy_atoms:	26
TPSA:	186.61	NumAromaticRings:	1

AD04291

Formula: C41H57O32N8P5

Smiles:

COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O

HBA:	40	RingCount:	8
HBD:	10	FractionCSP3:	0.61
AlogP:	-1.68	Num_rotatable_bonds:	25
MolWt:	1328.8	Num_heavy_atoms:	86
TPSA:	546.16	NumAromaticRings:	4

AD07254

Formula: C11H17O8N2P

Smiles:

COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO

HBA:	10	RingCount:	2
HBD:	3	FractionCSP3:	0.64
AlogP:	-0.74	Num_rotatable_bonds:	5
MolWt:	336.24	Num_heavy_atoms:	22
TPSA:	140.08	NumAromaticRings:	1

AD13767

Formula: C20H29O18N4P3

Smiles:

Cc1cn(C2CC(OP(=O)(O)O)C(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)O2)c(=O)[nH]c1=O

HBA:	22	RingCount:	4
HBD:	7	FractionCSP3:	0.6
AlogP:	-1.63	Num_rotatable_bonds:	12
MolWt:	706.38	Num_heavy_atoms:	45
TPSA:	317.46	NumAromaticRings:	2