Glycoside
GD031236
Name:
ITOSIDE LFormula:
C12H20O8Smiles:
OC[C@@H]1O[C@H](O[C@@H]2C=C[C@H](O)C[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
OC1C=CC(O)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.28 | Num_heavy_atoms: | 20 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD20137
Formula: C6H10O3
Smiles:
OC1C=CC(O)C(O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
