Glycoside
GD044132
Name:
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-ethyl-3-hydroxy-1,4-dihydropyridin-4-oneFormula:
C12H17O6NSmiles:
CCc1c(O)c(=O)ccn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCc1[nH]ccc(=O)c1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.27 | Num_heavy_atoms: | 19 |
| TPSA: | 112.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD24974
Formula: C7H9O2N
Smiles:
CCc1[nH]ccc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.15 | Num_heavy_atoms: | 10 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
