Glycoside
GD000077
Name:
NoneFormula:
C11H14O4N8Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N=[N+]=[N-])nc(N)nc21Aglycone:
[N-]=[N+]=Nc1nc(N)nc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.29 | Num_heavy_atoms: | 23 |
| TPSA: | 188.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD00102
Formula: C5H3N8
Smiles:
[N-]=[N+]=Nc1nc(N)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.14 | Num_heavy_atoms: | 13 |
| TPSA: | 127.02 | NumAromaticRings: | 1 |
