Glycoside
GD129898
Name:
7-[(6-{[(3,4-dihydroxy-5,6-dimethyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneFormula:
C29H34O14Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(C)C(O)C5O)C(O)C(O)C4O)cc3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1COther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD03755
Formula: C16H12O6
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
