Glycoside
GD106668
Name:
2-{[1-(benzylimino)-3-[2-(benzylimino)-1-hydroxyethoxy]-4-hydroxybutan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C28H36O10N2Smiles:
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O[C@H](/C=N\Cc2ccccc2)[C@H](CO)O[C@@H](O)/C=N/Cc2ccccc2)[C@H]1OAglycone:
OCC(OC(O)C=NCc1ccccc1)C(O)C=NCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 14 |
| MolWt: | 560.6 | Num_heavy_atoms: | 40 |
| TPSA: | 179.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD44201
Formula: C20H24O4N2
Smiles:
OCC(OC(O)C=NCc1ccccc1)C(O)C=NCc1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 356.42 | Num_heavy_atoms: | 26 |
| TPSA: | 94.64 | NumAromaticRings: | 2 |
