Glycoside
GD015481
Name:
NoneFormula:
C13H15O5N5SSmiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)c3cscn3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)c1cscn1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 353.36 | Num_heavy_atoms: | 24 |
| 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 |
AD11242
Formula: C5H6ON2S
Smiles:
CNC(=O)c1cscn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.18 | Num_heavy_atoms: | 9 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
