Glycoside
GD135667
Name:
Lyconoside IbFormula:
C45H72O18Smiles:
CC1CCC2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(O)C3(C)C1C2CAglycone:
CC1CCC2(OC1O)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 901.05 | Num_heavy_atoms: | 63 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54858
Formula: C27H42O5
Smiles:
CC1CCC2(OC1O)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
