Glycoside
GD135871
Name:
8-(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O15Smiles:
COc1c(O)c2c(c(C3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)c1OC)OC(c1ccc(O)cc1)CC2=OAglycone:
COc1cc2c(c(O)c1OC)C(=O)CC(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD52437
Formula: C17H16O6
Smiles:
COc1cc2c(c(O)c1OC)C(=O)CC(c1ccc(O)cc1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
