Glycoside
GD152469
Name:
2-(hydroxymethyl)-6-{[6-(prop-2-en-1-yl)-2H-1,3-benzodioxol-4-yl]oxy}oxane-3,4,5-triolFormula:
C16H20O8Smiles:
C=CCc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)OCO2Aglycone:
C=CCc1cc(O)c2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.33 | Num_heavy_atoms: | 24 |
| TPSA: | 117.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD60705
Formula: C10H10O3
Smiles:
C=CCc1cc(O)c2c(c1)OCO2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
