Glycoside
GD114867
Name:
magueyoside dFormula:
C55H88O28Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)CC5(C)C4CC(=O)C3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CC(=O)C3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 11 |
| HBD: | 15 | FractionCSP3: | 0.98 |
| AlogP: | -5.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 1197.28 | Num_heavy_atoms: | 83 |
| TPSA: | 431.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD45328
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CC(=O)C3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD04480
OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O