Glycoside
GD106084
Name:
NoneFormula:
C13H22O13N5P3Smiles:
C#CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OAglycone:
C#CCNc1ncnc2c1N=C[N]2.CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 549.26 | Num_heavy_atoms: | 34 |
| TPSA: | 271.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD08498
Formula: C8H6N5
Smiles:
C#CCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.17 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
