GD108016

Name:

None

Formula:

C28H32O14

Smiles:

COC(=O)Cc1c(C)c2c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc(C)cc2oc1=O

Aglycone:

COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000060045060

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

AD44385

Formula: C14H14O5

Smiles:

COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.29
AlogP:	1.83	Num_rotatable_bonds:	2
MolWt:	262.26	Num_heavy_atoms:	19
TPSA:	76.74	NumAromaticRings:	2