GD005829

Name:

SAPINMUSAPONIN I

Formula:

C49H80O16

Smiles:

CO[C@@H]1O[C@H](C=C(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12C

Aglycone:

COC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL502857
• CNP0115876

AD04893

Formula: C31H50O3

Smiles:

COC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C

HBA:	3	RingCount:	5
HBD:	1	FractionCSP3:	0.87
AlogP:	7.3	Num_rotatable_bonds:	3
MolWt:	470.74	Num_heavy_atoms:	34
TPSA:	38.69	NumAromaticRings:	0