GD020399

Name:

9-[(acetyloxy)methyl]-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:

C43H64O12

Smiles:

CC(=O)OC[C@@]1(C)[C@H](O[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)CC[C@@]2(C)[C@@H]3CC=C4[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]21

Aglycone:

CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Sugarmoiety:

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL509280
• CNP0077960

AD14087

Formula: C32H50O5

Smiles:

CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.88
AlogP:	6.78	Num_rotatable_bonds:	3
MolWt:	514.75	Num_heavy_atoms:	37
TPSA:	83.83	NumAromaticRings:	0