GD013740

Name:

PRUNOSE II

Formula:

C30H38O17

Smiles:

CC(=O)OC[C@@H]1O[C@H](CO[C@@]2(COC(C)=O)O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(=O)C=Cc1ccc(O)cc1.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(COC2(O)OC(O)C(O)C2O)C(O)C1OC(C)=O

Other Identifiers

• CHEMBL453506
• CNP0417241

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

AD00020

Formula: C10H10O3

Smiles:

COC(=O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.1
AlogP:	1.58	Num_rotatable_bonds:	2
MolWt:	178.19	Num_heavy_atoms:	13
TPSA:	46.53	NumAromaticRings:	1