GD031914

Name:

9,10-bis(acetyloxy)-13-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.3.1.0³,⁸]pentadec-11-en-7-yl acetate

Formula:

C32H48O13

Smiles:

C=C1[C@@H]2C[C@@H]3C[C@H](O)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3(C)C

Aglycone:

C=C1C(O)CC(OC(C)=O)C2(C)C1CC1CC(O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3398366
• CNP0078875

AD20520

Formula: C26H38O8

Smiles:

C=C1C(O)CC(OC(C)=O)C2(C)C1CC1CC(O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C

HBA:	8	RingCount:	3
HBD:	2	FractionCSP3:	0.73
AlogP:	2.85	Num_rotatable_bonds:	3
MolWt:	478.58	Num_heavy_atoms:	34
TPSA:	119.36	NumAromaticRings:	0