GD021946

Name:

SAPINMUSAPONIN C

Formula:

C42H72O14

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](C[C@H](O)[C@]5(C)[C@H]4CC[C@@H]4[C@H]([C@@](C)(O)C(O)C=CC(C)(C)O)CC[C@]45C)C3(C)C)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(C)(O)C=CC(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL504162
• CNP0313020

AD14937

Formula: C30H52O5

Smiles:

CC(C)(O)C=CC(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C

HBA:	5	RingCount:	4
HBD:	5	FractionCSP3:	0.93
AlogP:	4.44	Num_rotatable_bonds:	4
MolWt:	492.74	Num_heavy_atoms:	35
TPSA:	101.15	NumAromaticRings:	0