Glycoside
GD147100
Name:
Torvoside OFormula:
C46H76O19Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 933.1 | Num_heavy_atoms: | 65 |
| TPSA: | 296.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00335
Formula: C28H46O4
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
