Glycoside
GD035309
Name:
NoneFormula:
C12H19O13N8P3Smiles:
[N-]=[N+]=NCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCN=[N+]=[N-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 576.25 | Num_heavy_atoms: | 36 |
| TPSA: | 316.89 | NumAromaticRings: | 2 |
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 |
AD22354
Formula: C3H10O10N3P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCN=[N+]=[N-]| HBA: | 13 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 341.05 | Num_heavy_atoms: | 19 |
| TPSA: | 197.58 | NumAromaticRings: | 0 |
