Glycoside
GD027475
Name:
NoneFormula:
C15H22O13N5P3Smiles:
C#CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C#CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 573.29 | Num_heavy_atoms: | 36 |
| TPSA: | 268.13 | 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 |
AD18059
Formula: C6H13O10P3
Smiles:
C#CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 338.08 | Num_heavy_atoms: | 19 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
