Glycoside
GD136482
Name:
SolakhasosideFormula:
C44H70O18Smiles:
CC1COC2(OC3CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3(O)C2C)C(O)C1Aglycone:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3(O)C2C)C(O)C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 887.03 | Num_heavy_atoms: | 62 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD55172
Formula: C27H42O5
Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3(O)C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
