Glycoside
GD145949
Name:
Wattoside IFormula:
C39H64O15Smiles:
CC1COC2(CC1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 772.93 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD58555
Formula: C27H44O5
Smiles:
CC1COC2(CC1O)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
