Glycoside
GD035676
Name:
NoneFormula:
C16H20O5N6SSmiles:
N#Cc1cn([C@@H]2O[C@H](CSCC[C@H](N)C(=O)O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
CSCCC(N)C(=O)O.N#CC1=C[N]c2ncnc(N)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.44 | Num_heavy_atoms: | 28 |
| TPSA: | 193.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD02688
Formula: C7H4N5
Smiles:
N#CC1=C[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 89.69 | NumAromaticRings: | 1 |
