GD007826

Name:

None

Formula:

C215H274O147N72P22S22

Smiles:

Nc1ccn([C@H]2O[C@@H](COP(O)(=S)O[C@@H]3[C@H](COP(O)(=S)O[C@@H]4[C@H](COCCCO)O[C@H](n5ccc(=O)[nH]c5=O)[C@H]4O)O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H]3O)[C@@H](OP(O)(=S)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3OP(O)(=S)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H](O)[C@@H]3OP(O)(=S)OC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@@H](O)[C@@H]3OP(O)(=S)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3OP(O)(=S)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3OP(O)(=S)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H](O)[C@@H]3OP(O)(=S)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3OP(O)(=S)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H](O)[C@@H]3OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@H](COP(O)(=S)O[C@H]4[C@H](COP(O)(=S)O[C@H]5[C@H](COP(O)(=S)O[C@H]6[C@H](COP(O)(=S)O[C@H]7[C@H](COP(O)(=S)O[C@H]8[C@H](COP(O)(=S)O[C@H]9[C@H](COP(O)(=S)O[C@H]%10[C@H](COP(O)(=S)O[C@H]%11[C@@H](COP(O)(=S)O[C@@H]%12[C@H](COP(O)(=S)O[C@@H]%13[C@H](COCCCO)O[C@H](n%14ccc(=O)[nH]c%14=O)[C@H]%13O)O[C@H](n%13cnc%14c(=O)[nH]c(N)nc%14%13)[C@H]%12O)O[C@@H](n%12ccc(N)nc%12=O)[C@@H]%11O)O[C@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10O)O[C@H](n%10cnc%11c(=O)[nH]c(N)nc%11%10)[C@@H]9O)O[C@H](n9ccc(N)nc9=O)[C@@H]8O)O[C@H](n8ccc(=O)[nH]c8=O)[C@@H]7O)O[C@H](n7ccc(=O)[nH]c7=O)[C@@H]6O)O[C@H](n6cnc7c(=O)[nH]c(N)nc76)[C@@H]5O)O[C@H](n5ccc(=O)[nH]c5=O)[C@@H]4O)O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H]3O)[C@@H]2O)c(=O)n1

Aglycone:

COCCCO.COCCCO.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.COP(O)(O)=S.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.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.OC(COP(O)(O)=S)COP(O)(O)=S

Sugarmoiety:

OC(O)C(O)O.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)O1.OCC(O)O.OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCC1OC(O)C(O)O1.OCCCOCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1162216

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

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

AD00206

Formula: CH5O3PS

Smiles:

COP(O)(O)=S

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.16	Num_rotatable_bonds:	1
MolWt:	128.09	Num_heavy_atoms:	6
TPSA:	49.69	NumAromaticRings:	0

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

AD00208

Formula: C3H10O7P2S2

Smiles:

OC(COP(O)(O)=S)COP(O)(O)=S

HBA:	7	RingCount:	0
HBD:	5	FractionCSP3:	1.0
AlogP:	-1.2	Num_rotatable_bonds:	6
MolWt:	284.19	Num_heavy_atoms:	14
TPSA:	119.61	NumAromaticRings:	0

AD06334

Formula: C4H10O2

Smiles:

COCCCO

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.02	Num_rotatable_bonds:	3
MolWt:	90.12	Num_heavy_atoms:	6
TPSA:	29.46	NumAromaticRings:	0