GD145086

Name:

None

Formula:

C57H61O35

Smiles:

O=C(CC(=O)OC1C(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(OC2OC(CO)C(O)C(O)C2OC2OC(C[OH2+])C(O)C(O)C2O)=C3O)OC(C(=O)O)C(O)C1O)OCC1OC(Oc2cc3c(=O)cc(O)cc-3oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O

Aglycone:

COC(=O)CC(=O)O.O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)cc1-2.OC1=C(O)C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21

Sugarmoiety:

O=C(O)C1OC(O)OC(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(C[OH2+])C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0466512

AD04733

Formula: C4H6O4

Smiles:

COC(=O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.5
AlogP:	-0.37	Num_rotatable_bonds:	2
MolWt:	118.09	Num_heavy_atoms:	8
TPSA:	63.6	NumAromaticRings:	0

AD10098

Formula: C15H12O6

Smiles:

OC1=C(O)C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21

HBA:	6	RingCount:	3
HBD:	5	FractionCSP3:	0.07
AlogP:	2.72	Num_rotatable_bonds:	1
MolWt:	288.26	Num_heavy_atoms:	21
TPSA:	110.38	NumAromaticRings:	2

AD54049

Formula: C15H10O6

Smiles:

O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)cc1-2

HBA:	6	RingCount:	3
HBD:	4	FractionCSP3:	0.0
AlogP:	2.23	Num_rotatable_bonds:	1
MolWt:	286.24	Num_heavy_atoms:	21
TPSA:	111.13	NumAromaticRings:	1