Glycoside
GD136348
Name:
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7,8-dimethoxy-3-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C29H34O15Smiles:
COc1ccc(-c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)c3c2=O)cc1Aglycone:
COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 216.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD55111
Formula: C18H16O6
Smiles:
COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
