Glycoside
GD000428
Name:
NoneFormula:
C14H19O3N7SSmiles:
N#CC(N)CCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C#N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.42 | Num_heavy_atoms: | 25 |
| TPSA: | 169.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00476
Formula: C5H10N2S
Smiles:
CSCCC(N)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.22 | Num_heavy_atoms: | 8 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
