Glycoside
GD036600
Name:
NoneFormula:
C18H23O6N5Smiles:
CCCCCOC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@H](O)[C@H]3O)ccc12Aglycone:
CCCCCOC(=O)Nc1ncnn2cccc12Sugarmoiety:
N#CC1(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.41 | Num_heavy_atoms: | 29 |
| TPSA: | 162.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD23074
Formula: C12H16O2N4
Smiles:
CCCCCOC(=O)Nc1ncnn2cccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 248.29 | Num_heavy_atoms: | 18 |
| TPSA: | 68.52 | NumAromaticRings: | 2 |
