Glycoside
GD156146
Name:
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[6-(prop-2-en-1-yl)-2H-1,3-benzodioxol-5-yl]oxy}oxane-3,4,5-triolFormula:
C21H28O12Smiles:
C=CCc1cc2c(cc1OC1OC(COC3OC(CO)C(O)C3O)C(O)C(O)C1O)OCO2Aglycone:
C=CCc1cc2c(cc1O)OCO2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 176.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD55133
Formula: C10H10O3
Smiles:
C=CCc1cc2c(cc1O)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 |
