Glycoside
GD078750
Name:
NoneFormula:
C18H23O4N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Nc3ccc(C[NH3+])cc3)ncnc21Aglycone:
[NH3+]Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.42 | Num_heavy_atoms: | 28 |
| TPSA: | 142.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD36195
Formula: C12H12N6
Smiles:
[NH3+]Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.27 | Num_heavy_atoms: | 18 |
| TPSA: | 91.91 | NumAromaticRings: | 2 |
