Glycoside
GD118340
Name:
5-(2,5-dihydroxy-4-{3-[hydroxy(phenyl)methyl]oxiran-2-yl}-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C22H26O11Smiles:
COc1c(O)c(OC2C(CO)OC(O)C(O)C2O)cc(O)c1C1OC1C(O)c1ccccc1Aglycone:
COc1c(O)c(O)cc(O)c1C1OC1C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 181.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD47305
Formula: C16H16O6
Smiles:
COc1c(O)c(O)cc(O)c1C1OC1C(O)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 102.68 | NumAromaticRings: | 2 |
