Glycoside
GD149471
Name:
Solasodoside AFormula:
C51H82O21Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 1031.2 | Num_heavy_atoms: | 72 |
| TPSA: | 303.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50952
Formula: C28H44O4
Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
