GD003495

Name:

Mukurozisaponin G

Formula:

C50H78O18

Smiles:

CC(=O)O[C@@H]1CO[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7CC(C)(C)CCC7(C(=O)O)CC[C@]56C)[C@@]4(C)CO)OC[C@H](O)[C@H]3O)O[C@@H](C)[C@H]2O)[C@H](O)[C@H]1OC(C)=O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC(=O)OC1COC(OC2C(O)C(C)OC(OC3C(O)OCC(O)C3O)C2O)C(O)C1OC(C)=O

Other Identifiers

• CHEMBL1078505
• CNP0193777

AD00356

Formula: C30H48O4

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.21	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0