Glycoside
GD137221
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C27H34O16Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)ccc(C(=O)OCc2ccccc2OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
COc1c(O)ccc(C(=O)OCc2ccccc2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD55450
Formula: C15H14O6
Smiles:
COc1c(O)ccc(C(=O)OCc2ccccc2O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
