Glycoside
GD001929
Name:
NoneFormula:
C19H22O5N6Smiles:
N#Cc1ccccc1C[C@H](N)C(=O)NC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)Cc1ccccc1C#N.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.42 | Num_heavy_atoms: | 30 |
| TPSA: | 189.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD01875
Formula: C11H13ON3
Smiles:
CNC(=O)C(N)Cc1ccccc1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 78.91 | NumAromaticRings: | 1 |
