Glycoside
GD106125
Name:
3,5-dihydroxy-2-[(4-hydroxy-3-{1-hydroxy-2-[(piperidin-1-yl)imino]ethoxy}-1-[(piperidin-1-yl)imino]butan-2-yl)oxy]-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C24H42O10N4Smiles:
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O[C@H](/C=N\N2CCCCC2)[C@@H](CO)O[C@@H](O)/C=N/N2CCCCC2)[C@H]1OAglycone:
OCC(OC(O)C=NN1CCCCC1)C(O)C=NN1CCCCC1Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 546.62 | Num_heavy_atoms: | 38 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD44118
Formula: C16H30O4N4
Smiles:
OCC(OC(O)C=NN1CCCCC1)C(O)C=NN1CCCCC1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.44 | Num_heavy_atoms: | 24 |
| TPSA: | 101.12 | NumAromaticRings: | 0 |
