Glycoside
GD122083
Name:
Solasodoside FFormula:
C51H82O23Smiles:
CC1CC(C2(O)OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)OC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1CC(C2(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)OC1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 1063.19 | Num_heavy_atoms: | 74 |
| TPSA: | 355.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD49179
Formula: C27H42O5
Smiles:
CC1CC(C2(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)OC1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
