Glycoside
GD023257
Name:
NoneFormula:
C15H18O6N4Smiles:
Cc1ccc(CNC(=O)[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)o1Aglycone:
Cc1ccc(CNC=O)o1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 152.84 | 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 |
AD15662
Formula: C7H9O2N
Smiles:
Cc1ccc(CNC=O)o1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.15 | Num_heavy_atoms: | 10 |
| TPSA: | 42.24 | NumAromaticRings: | 1 |
