Glycoside
GD151094
Name:
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[2-(hydroxymethyl)-5-methoxyoxolan-3-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3CC(OC)OC3CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
COC1CC(OCC2OC(O)C(O)C(O)C2O)C(CO)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
