GD033119

Name:

MIMENGOSIDE C

Formula:

C54H88O22

Smiles:

C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C=CC3=C5CC(C)(C)CC[C@@]5(CO)[C@H](O)C[C@]34C)[C@@]2(C)CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@H]2O[C@@H](CO)[C@@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O

Aglycone:

CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL525972
• CNP0221643

AD00662

Formula: C30H48O4

Smiles:

CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.87
AlogP:	5.0	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0