GD024688

Name:

PSEUDOPROTOTIMOSAPONIN AIII

Formula:

C45H74O18

Smiles:

CC1=C(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL500730
• CNP0165849

AD16454

Formula: C27H44O3

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	5.7	Num_rotatable_bonds:	4
MolWt:	416.65	Num_heavy_atoms:	30
TPSA:	49.69	NumAromaticRings:	0