Glycoside
GD135858
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C28H32O14Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c(OC)cc3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD14540
Formula: C17H14O5
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
