Glycoside
GD117390
Name:
2,6-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-2,5-dien-1-oneFormula:
C14H20O9Smiles:
COC1=CC(OC2OC(CO)C(O)C(O)C2O)C=C(OC)C1=OAglycone:
COC1=CC(O)C=C(OC)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46796
Formula: C8H10O4
Smiles:
COC1=CC(O)C=C(OC)C1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
