GD016656

Name:

MADHUCOSIDE A

Formula:

C68H110O35

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O[C@@H]3[C@H](O[C@@H]4[C@H](OC(=O)[C@@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@]8(C)C[C@H](O)[C@H](O)[C@](C)(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O[C@@H]9OC[C@](O)(CO)[C@H]9O)[C@H]8[C@H](O)C[C@@]7(C)[C@@]5(C)CC6)OC[C@H](O)[C@H]4O)O[C@H](C)[C@H](O)[C@H]3O)OC[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)COC(OC3C(OC4C(O)OCC(O)C4O)OC(C)C(O)C3O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

• CHEMBL447984
• CNP0077548

AD09184

Formula: C30H48O6

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.15	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0