Glycoside
GD032942
Name:
NoneFormula:
C20H22O3N6SSmiles:
Cc1sc2ccccc2c1CNC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCc1c(C)sc2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.5 | Num_heavy_atoms: | 30 |
| TPSA: | 131.34 | NumAromaticRings: | 4 |
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 |
AD13594
Formula: C11H13NS
Smiles:
CNCc1c(C)sc2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.3 | Num_heavy_atoms: | 13 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
