GD001335

Name:

None

Formula:

C62H113O76P12

Smiles:

O=P([O-])(O)O[C@@H]1C(CO)O[C@H](O[C@H]2[C@H](CO)OC(OCCCc3cc(CCCOC4O[C@H](CO)[C@H](O[C@@H]5OC(CO)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H]5O)[C@H]4OP(=O)(O)O)c(CCCOC4O[C@H](CO)[C@H](O[C@@H]5OC(CO)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H]5O)[C@H]4OP(=O)(O)O)cc3CCCOC3O[C@H](CO)[C@H](O[C@@H]4OC(CO)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H]4O)[C@H]3OP(=O)(O)O)[C@H]2OP(=O)(O)O)[C@H](O)C1OP(=O)(O)O

Aglycone:

O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P([O-])(O)O.OCCCc1cc(CCCO)c(CCCO)cc1CCCO

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1744142

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

AD00190

Formula: H2O4P

Smiles:

O=P([O-])(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-1.56	Num_rotatable_bonds:	0
MolWt:	96.99	Num_heavy_atoms:	5
TPSA:	80.59	NumAromaticRings:	0

AD00910

Formula: C18H30O4

Smiles:

OCCCc1cc(CCCO)c(CCCO)cc1CCCO

HBA:	4	RingCount:	1
HBD:	4	FractionCSP3:	0.67
AlogP:	1.39	Num_rotatable_bonds:	12
MolWt:	310.43	Num_heavy_atoms:	22
TPSA:	80.92	NumAromaticRings:	1