Glycoside
GD011625
Name:
NoneFormula:
C9H15O14N6P3Smiles:
[N-]=[N+]=N[C@@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.17 | Num_heavy_atoms: | 32 |
| TPSA: | 319.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
