Glycoside
GD151700
Name:
6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl benzoateFormula:
C17H22O11Smiles:
O=C(OC1OC(OC2OC(CO)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.35 | Num_heavy_atoms: | 28 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
