GD155219

Name:

None

Formula:

C42H43O26

Smiles:

O=C(O)CC(=O)OCC1OC(OC2=CC([OH2+])=CC3OC(c4cc(O)c(O)c(O)c4)=C(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)C=C23)C(O)C(O)C1OC(=O)CC(=O)O

Aglycone:

COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)CC(=O)O.O=C(O)CC(=O)O.OC1=CC([OH2+])=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12

Sugarmoiety:

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

Other Identifiers

• CNP0475802

AD03431

Formula: C10H10O4

Smiles:

COC(=O)C=Cc1ccc(O)c(O)c1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.28	Num_rotatable_bonds:	2
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1

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

AD13454

Formula: C3H4O4

Smiles:

O=C(O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.33
AlogP:	-0.45	Num_rotatable_bonds:	2
MolWt:	104.06	Num_heavy_atoms:	7
TPSA:	74.6	NumAromaticRings:	0

AD45114

Formula: C15H13O7

Smiles:

OC1=CC([OH2+])=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12

HBA:	7	RingCount:	3
HBD:	7	FractionCSP3:	0.07
AlogP:	1.42	Num_rotatable_bonds:	1
MolWt:	305.26	Num_heavy_atoms:	22
TPSA:	133.28	NumAromaticRings:	1