Glycoside
GD031614
Name:
NoneFormula:
C19H22O5N6Smiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)CCc3nc4ccccc4[nH]3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)CCc1nc2ccccc2[nH]1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.42 | Num_heavy_atoms: | 30 |
| TPSA: | 168.38 | NumAromaticRings: | 3 |
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 |
AD20351
Formula: C11H13ON3
Smiles:
CNC(=O)CCc1nc2ccccc2[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 57.78 | NumAromaticRings: | 2 |
