GD007905

Name:

None

Formula:

C46H46O28

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2c(OC(C)=O)cc3c(=O)oc4c(O[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)c(OC(C)=O)cc5c(=O)oc2c3c45)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)Oc1cc2c(=O)oc3c(O)c(OC(C)=O)cc4c(=O)oc(c1O)c2c34.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL451365

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD06381

Formula: C18H10O10

Smiles:

CC(=O)Oc1cc2c(=O)oc3c(O)c(OC(C)=O)cc4c(=O)oc(c1O)c2c34

HBA:	10	RingCount:	4
HBD:	2	FractionCSP3:	0.11
AlogP:	1.75	Num_rotatable_bonds:	2
MolWt:	386.27	Num_heavy_atoms:	28
TPSA:	153.48	NumAromaticRings:	4