Glycoside
GD116674
Name:
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C27H30O14Smiles:
COc1ccc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc(O)c3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD01905
Formula: C16H12O5
Smiles:
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
