Glycoside
GD120193
Name:
Ardisimamilloside DFormula:
C53H88O22Smiles:
CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(CO)CCC7(CO)CC(O)C56C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(CO)CCC2(CO)CC(O)C3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 1077.27 | Num_heavy_atoms: | 75 |
| TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD48247
Formula: C30H50O4
Smiles:
CC1(CO)CCC2(CO)CC(O)C3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
