Glycoside
GD032776
Name:
NoneFormula:
C19H23O6N5Smiles:
Cc1cccc(NC(=O)CNC(=O)[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)c1CAglycone:
Cc1cccc(NC(=O)CNC=O)c1C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.42 | Num_heavy_atoms: | 30 |
| TPSA: | 168.8 | 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 |
AD17891
Formula: C11H14O2N2
Smiles:
Cc1cccc(NC(=O)CNC=O)c1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.25 | Num_heavy_atoms: | 15 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
