GD016420

Name:

WISTARIASAPONIN G

Formula:

C51H80O20

Smiles:

COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5C[C@@](C)(C(=O)OC)C[C@H](OC(C)=O)[C@@]5(C)CC[C@]34C)[C@@]2(C)CO)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

COC(=O)C1(C)CC(OC(C)=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL500353

AD11827

Formula: C33H52O6

Smiles:

COC(=O)C1(C)CC(OC(C)=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.88
AlogP:	5.84	Num_rotatable_bonds:	3
MolWt:	544.77	Num_heavy_atoms:	39
TPSA:	93.06	NumAromaticRings:	0