GD024409

Name:

Madecassoside

Formula:

C48H78O20

Smiles:

C[C@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO[C@H]4O[C@@H](CO)[C@@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@H]1C

Aglycone:

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL447019
• CNP0183082

AD16295

Formula: C30H48O6

Smiles:

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.0	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0