Glycoside
GD015723
Name:
NoneFormula:
C15H17O5N5Smiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)c3ccncc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)c1ccncc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.33 | Num_heavy_atoms: | 25 |
| TPSA: | 152.59 | 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 |
AD11390
Formula: C7H8ON2
Smiles:
CNC(=O)c1ccncc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
