GD024087

Name:

NOTOGINSENOSIDE R1

Formula:

C47H80O18

Smiles:

CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@]12C

Aglycone:

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL507115
• CNP0216463

AD00144

Formula: C30H52O4

Smiles:

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.93
AlogP:	5.47	Num_rotatable_bonds:	4
MolWt:	476.74	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0