Glycoside
GD122299
Name:
7-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-oneFormula:
C26H28O14Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OCC(O)(CO)C4OC4OC(CO)C(O)C4O)cc3o2)cc1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
OCC1OC(OC2C(O)OCC2(O)CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD04393
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O| 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 |
