Glycoside
GD005120
Name:
NoneFormula:
C15H22O3N6SSmiles:
CN1CC[C@H](SC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)C1Aglycone:
CSC1CCN(C)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.45 | Num_heavy_atoms: | 25 |
| TPSA: | 122.55 | 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 |
AD04381
Formula: C6H13NS
Smiles:
CSC1CCN(C)C1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.24 | Num_heavy_atoms: | 8 |
| TPSA: | 3.24 | NumAromaticRings: | 0 |
