Glycoside
GD030743
Name:
JASMINOSIDE SFormula:
C22H36O12Smiles:
CC1=C(C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1Aglycone:
CC1=C(C(=O)O)C(C)(C)CCC1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.52 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD19885
Formula: C10H16O2
Smiles:
CC1=C(C(=O)O)C(C)(C)CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
