GD000783

Name:

SOYSAPONIN A2

Formula:

C53H86O22

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC(C)(C)C[C@@H]4C5=CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]8O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@](C)(CO)[C@H]7CC[C@@]6(C)[C@@]5(C)CC[C@@]34C)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL510916
• CNP0107989

AD00828

Formula: C30H50O3

Smiles:

CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	6.11	Num_rotatable_bonds:	1
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0