Glycoside
GD050546
Name:
NoneFormula:
C12H19O6N3Smiles:
Cc1nc(C#N)c(N(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)o1Aglycone:
Cc1nc(C#N)c(N(C)C)o1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 301.3 | Num_heavy_atoms: | 21 |
| TPSA: | 154.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD26649
Formula: C7H9ON3
Smiles:
Cc1nc(C#N)c(N(C)C)o1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.17 | Num_heavy_atoms: | 11 |
| TPSA: | 53.06 | NumAromaticRings: | 1 |
