Glycoside
GD128092
Name:
6-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-3-methylbutyl)-7-hydroxy-2H-chromen-2-oneFormula:
C25H34O14Smiles:
CC(C)(O)C(Cc1cc2ccc(=O)oc2cc1O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 558.53 | Num_heavy_atoms: | 39 |
| TPSA: | 228.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD14616
Formula: C14H16O5
Smiles:
CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
