Glycoside
GD017573
Name:
NoneFormula:
C19H21O4N7SSmiles:
Cc1oc(-c2cccs2)nc1CNC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCc1nc(-c2cccs2)oc1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.49 | Num_heavy_atoms: | 31 |
| TPSA: | 157.37 | 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 |
AD12526
Formula: C10H12ON2S
Smiles:
CNCc1nc(-c2cccs2)oc1C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.29 | Num_heavy_atoms: | 14 |
| TPSA: | 38.06 | NumAromaticRings: | 2 |
