GD036315

Name:

Ginsenoside Rs4

Formula:

C44H72O13

Smiles:

CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C[C@H](O)[C@@H]4[C@H](C(C)=CCC=C(C)C)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)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C.COC(C)=O

Sugarmoiety:

OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL3600663
• CNP0296779

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD09020

Formula: C30H50O2

Smiles:

CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	2	RingCount:	4
HBD:	2	FractionCSP3:	0.87
AlogP:	7.31	Num_rotatable_bonds:	3
MolWt:	442.73	Num_heavy_atoms:	32
TPSA:	40.46	NumAromaticRings:	0