Glycoside
GD125491
Name:
2-(4-hydroxyphenyl)-7-methoxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O9Smiles:
COc1cc2c(c(OC3OCC(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2Aglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 134.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD14944
Formula: C16H14O5
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
