Glycoside
GD133450
Name:
1-(4-hydroxy-3-methoxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-oneFormula:
C15H20O9Smiles:
COc1cc(C(=O)COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(=O)CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD54013
Formula: C9H10O4
Smiles:
COc1cc(C(=O)CO)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.18 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
