Glycoside
GD118030
Name:
Torvoside QFormula:
C39H62O13Smiles:
CC1COC2(OC3CC4C5CC(OC6OC(C)C(O)C(OC7OC(C)C(O)C(O)C7O)C6O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(=O)C1Aglycone:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(=O)C1Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47141
Formula: C27H42O5
Smiles:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(=O)C1| 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 |
