GD107390

Name:

None

Formula:

C34H40O19

Smiles:

CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(OC(C)=O)cc4)[C@@H](O)[C@@](O)(COC(C)=O)[C@@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)OCC1(O)C(O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000095100280

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

AD44306

Formula: C20H22O10

Smiles:

CC(=O)OCC1(O)C(O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21

HBA:	10	RingCount:	3
HBD:	3	FractionCSP3:	0.45
AlogP:	-0.1	Num_rotatable_bonds:	5
MolWt:	422.39	Num_heavy_atoms:	30
TPSA:	148.82	NumAromaticRings:	1