Glycoside
GD158084
Name:
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-8,8a-dihydro-4H-chromen-4-oneFormula:
C28H34O15Smiles:
COC1=C(OC)C(C2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C2OC(c3ccc(O)cc3)=CC(=O)C2=C1OAglycone:
COC1=C(OC)C(O)=C2C(=O)C=C(c3ccc(O)cc3)OC2C1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 234.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD62423
Formula: C17H16O6
Smiles:
COC1=C(OC)C(O)=C2C(=O)C=C(c3ccc(O)cc3)OC2C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
