Glycoside
GD027734
Name:
NoneFormula:
C11H15O14N5P3Smiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].C[N+]1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -5.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.18 | Num_heavy_atoms: | 33 |
| TPSA: | 301.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD01781
Formula: CH3O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.95 | Num_heavy_atoms: | 14 |
| TPSA: | 171.14 | NumAromaticRings: | 0 |
AD02176
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
