Glycoside
GD022442
Name:
OPHIOCERIN DFormula:
C10H16O5Smiles:
CC=CC(=O)O[C@@H]1[C@H](C)OC[C@H](O)[C@H]1OAglycone:
CC=CC(=O)OSugarmoiety:
CC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.23 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD04131
Formula: C4H6O2
Smiles:
CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
