Glycoside
GD092387
Name:
NoneFormula:
C21H24O5N6Smiles:
COCCN(Cc1ccc(C#N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COCCN(Cc1ccc(C#N)cc1)c1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 440.46 | Num_heavy_atoms: | 32 |
| TPSA: | 149.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD40308
Formula: C16H15ON6
Smiles:
COCCN(Cc1ccc(C#N)cc1)c1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.34 | Num_heavy_atoms: | 23 |
| TPSA: | 88.5 | NumAromaticRings: | 2 |
