Glycoside
GD117644
Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3,4,5-trihydroxybenzoateFormula:
C26H30O19Smiles:
O=C(OC1OC(COC2OC(CO)C(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C2O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.46 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.51 | Num_heavy_atoms: | 45 |
| TPSA: | 323.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
