Glycoside
GD003934
Name:
NoneFormula:
C16H28O12N9P3Smiles:
[N-]=[N+]=NCCCCCCNP(=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)NCCCCCCN=[N+]=[N-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 16 |
| MolWt: | 631.37 | Num_heavy_atoms: | 40 |
| TPSA: | 319.69 | 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 |
AD03501
Formula: C7H19O9N4P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCCCCCN=[N+]=[N-]| HBA: | 13 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 13 |
| MolWt: | 396.17 | Num_heavy_atoms: | 23 |
| TPSA: | 200.38 | NumAromaticRings: | 0 |
