GD031447

Name:

3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-16-yl acetate

Formula:

C28H44O11

Smiles:

C=C1[C@@H]2CC[C@@H]3[C@H](OC(C)=O)[C@@]2(C[C@H](O)[C@]2(O)[C@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2(C)C)C[C@]3(C)O

Aglycone:

C=C1C2CCC3C(OC(C)=O)C2(CC(O)C2(O)C1CC(O)C2(C)C)CC3(C)O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4458108
• CNP0086807

AD18294

Formula: C22H34O6

Smiles:

C=C1C2CCC3C(OC(C)=O)C2(CC(O)C2(O)C1CC(O)C2(C)C)CC3(C)O

HBA:	6	RingCount:	4
HBD:	4	FractionCSP3:	0.86
AlogP:	1.54	Num_rotatable_bonds:	1
MolWt:	394.51	Num_heavy_atoms:	28
TPSA:	107.22	NumAromaticRings:	0