Glycoside
GD020055
Name:
NoneFormula:
C16H18O5N6SSmiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)Cc3cn4ccsc4n3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)Cc1cn2ccsc2n1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.42 | Num_heavy_atoms: | 28 |
| TPSA: | 157.0 | 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 |
AD13902
Formula: C8H9ON3S
Smiles:
CNC(=O)Cc1cn2ccsc2n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 195.25 | Num_heavy_atoms: | 13 |
| TPSA: | 46.4 | NumAromaticRings: | 2 |
