Glycoside
GD013639
Name:
NoneFormula:
C28H34O19N10P4Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H]2OC(Cc3ccccc3)O[C@@H]12Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C2OC(Cc3ccccc3)OC12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 16 |
| MolWt: | 938.53 | Num_heavy_atoms: | 61 |
| TPSA: | 411.97 | NumAromaticRings: | 5 |
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 |
AD10144
Formula: C19H25O16N5P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C2OC(Cc3ccccc3)OC12| HBA: | 21 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 703.32 | Num_heavy_atoms: | 44 |
| TPSA: | 292.66 | NumAromaticRings: | 3 |
