Glycoside
GD026061
Name:
1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-oneFormula:
C28H36O15Smiles:
COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O[C@@H]3OC(C)C(O)C(O)C3O)cc2O)cc1OAglycone:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00733
Formula: C16H16O6
Smiles:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
