GD031863

Name:

BUPLEUROSIDE VII

Formula:

C48H78O18

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3CC[C@]4(C)C(CC[C@]5(C)C4C(=O)C=C4C6CC(C)(C)CC[C@@]6(CO)[C@H](O)C[C@]45C)C3(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(CO)C(O)CC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1159451
• CNP0222889

AD20493

Formula: C30H48O4

Smiles:

CC1(C)CCC2(CO)C(O)CC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	5.29	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0