GD000284

Name:

5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Formula:

C36H58O8

Smiles:

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

Sugarmoiety:

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

Other Identifiers

• CHEMBL237708
• CHEMBL237890
• CHEMBL396425
• CNP0180016

AD00328

Formula: C30H48O3

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.09	Num_rotatable_bonds:	2
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0