Glycoside
GD137919
Name:
Beta-SolanineFormula:
C39H63O11NSmiles:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)CCC6(C)C5CCC43C)N2C1Aglycone:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 721.93 | Num_heavy_atoms: | 51 |
| TPSA: | 181.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD08056
Formula: C27H43ON
Smiles:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1| HBA: | 2 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 397.65 | Num_heavy_atoms: | 29 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
