Glycoside
GD065200
Name:
NoneFormula:
C14H18O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NC4CC4)ncnc32)[C@@H](O)[C@@H]1OAglycone:
S=C(Nc1ncnc2c1N=C[N]2)NC1CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.4 | Num_heavy_atoms: | 25 |
| TPSA: | 137.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD31358
Formula: C9H9N6S
Smiles:
S=C(Nc1ncnc2c1N=C[N]2)NC1CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 233.28 | Num_heavy_atoms: | 16 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
