Glycoside
GD085067
Name:
3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-oneFormula:
C20H24O8N2Smiles:
COc1cc(/C=C/C(=O)c2ccnn2C)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)c2ccnn2C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.42 | Num_heavy_atoms: | 30 |
| TPSA: | 143.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD38077
Formula: C14H14O3N2
Smiles:
COc1cc(C=CC(=O)c2ccnn2C)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.28 | Num_heavy_atoms: | 19 |
| TPSA: | 64.35 | NumAromaticRings: | 2 |
