Glycoside
GD053118
Name:
NoneFormula:
C13H19O7N3Smiles:
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1N1CCOCC1Aglycone:
O=c1[nH]cc(N2CCOCC2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.31 | Num_heavy_atoms: | 23 |
| TPSA: | 137.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD17249
Formula: C8H11O3N3
Smiles:
O=c1[nH]cc(N2CCOCC2)c(=O)[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 197.19 | Num_heavy_atoms: | 14 |
| TPSA: | 78.19 | NumAromaticRings: | 1 |
