Glycoside
GD132182
Name:
Eremophiloside AFormula:
C55H92O22Smiles:
CC(=O)OC1CC2(C)C3CC(OC4OC(C)C(O)C(O)C4O)C4C(C)(C)C(OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC2(C)C1C(C)CCC(OC1OC(C)C(O)C(O)C1O)C(C)(C)OC1OCC(O)C(O)C1OAglycone:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 14 |
| MolWt: | 1105.32 | Num_heavy_atoms: | 77 |
| TPSA: | 342.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD50215
Formula: C32H54O6
Smiles:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.78 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
