Glycoside
GD129106
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-8-methoxy-2-(4-methoxyphenyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C34H44O19Smiles:
COc1ccc(C2CC(=O)c3c(OC4OC(C)C(O)C(O)C4O)cc(OC4OC(CO)C(OC5OCC(O)C(O)C5O)C(O)C4O)c(OC)c3O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)c(OC)c3O2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.71 | Num_heavy_atoms: | 53 |
| TPSA: | 282.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD52292
Formula: C17H16O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)c(OC)c3O2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
