GD017836

Name:

None

Formula:

C163H232O97N24P12S6

Smiles:

CO[C@@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](OC)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OP(=O)(O)O

Aglycone:

COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(OCCSC(=O)C(C)(C)C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(OCCSC(=O)C(C)(C)C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(OCCSC(=O)C(C)(C)C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(OCCSC(=O)C(C)(C)C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(OCCSC(=O)C(C)(C)C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(OCCSC(=O)C(C)(C)C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)O.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

Sugarmoiety:

COC1C(O)OC(CO)C1O.COC1C(O)OC(CO)C1O.COC1C(O)OC(O)C1O.COC1C(O)OC(O)C1O.COC1C(O)OC(O)C1O.COC1OC(O)OC1O

Other Identifiers

• CHEMBL1160751

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

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

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

AD00276

Formula: C5H6O2N2

Smiles:

Cc1c[nH]c(=O)[nH]c1=O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.2
AlogP:	-0.63	Num_rotatable_bonds:	0
MolWt:	126.11	Num_heavy_atoms:	9
TPSA:	65.72	NumAromaticRings:	1

AD12683

Formula: C103H155O52N12P7S6

Smiles:

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

HBA:	64	RingCount:	12
HBD:	8	FractionCSP3:	0.71
AlogP:	11.6	Num_rotatable_bonds:	61
MolWt:	2802.62	Num_heavy_atoms:	180
TPSA:	822.28	NumAromaticRings:	6