GD108576

Name:

None

Formula:

C29H32O13

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2cccc3c2C(=O)[C@@H]2CC(C)=C[C@H](O)[C@H]2C3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC1=CC(O)C2C(=O)c3cccc(O)c3C(=O)C2C1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000253531529

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

AD44450

Formula: C15H14O4

Smiles:

CC1=CC(O)C2C(=O)c3cccc(O)c3C(=O)C2C1

HBA:	4	RingCount:	3
HBD:	2	FractionCSP3:	0.33
AlogP:	1.71	Num_rotatable_bonds:	0
MolWt:	258.27	Num_heavy_atoms:	19
TPSA:	74.6	NumAromaticRings:	1