Glycoside
GD130097
Name:
2-(hydroxymethyl)-6-[5-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxol-4-yl]oxane-3,4,5-triolFormula:
C17H22O8Smiles:
C=CCc1cc2c(c(C3OC(CO)C(O)C(O)C3O)c1OC)OCO2Aglycone:
C=CCc1cc2c(cc1OC)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 117.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD52707
Formula: C11H12O3
Smiles:
C=CCc1cc2c(cc1OC)OCO2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 27.69 | NumAromaticRings: | 1 |
