Glycoside
GD146387
Name:
Arboreaside BFormula:
C54H88O23Smiles:
CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 1105.28 | Num_heavy_atoms: | 77 |
| TPSA: | 374.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD04739
Formula: C30H48O4
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
