Glycoside
GD103671
Name:
1-(1H-1,3-benzodiazol-2-yl)-3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-oneFormula:
C23H24O8N2Smiles:
COc1cc(/C=C/C(=O)c2nc3ccccc3[nH]2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)c2nc3ccccc3[nH]2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.45 | Num_heavy_atoms: | 33 |
| TPSA: | 154.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD43858
Formula: C17H14O3N2
Smiles:
COc1cc(C=CC(=O)c2nc3ccccc3[nH]2)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.31 | Num_heavy_atoms: | 22 |
| TPSA: | 75.21 | NumAromaticRings: | 3 |
