Glycoside
GD121418
Name:
Lyconoside IvFormula:
C46H74O19Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(O)C3(C)C1C2CAglycone:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 931.08 | Num_heavy_atoms: | 65 |
| TPSA: | 285.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD48872
Formula: C28H44O5
Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
