Glycoside
GD005266
Name:
NoneFormula:
C21H36O3N6SSmiles:
CCCNCCCCCC(CC)SC[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCNCCCCCC(CC)SC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 13 |
| MolWt: | 452.63 | Num_heavy_atoms: | 31 |
| TPSA: | 131.34 | 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 |
AD04497
Formula: C12H27NS
Smiles:
CCCNCCCCCC(CC)SC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 217.42 | Num_heavy_atoms: | 14 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
