Glycoside
GD008130
Name:
NoneFormula:
C12H22O12N5P3Smiles:
C[C@]1(O)[C@H](O)[C@H](CCP(=O)(O)OP(=O)(O)O[PH](O)(O)O)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
CCP(=O)(O)OP(=O)(O)O[PH](O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.25 | Num_heavy_atoms: | 32 |
| TPSA: | 273.06 | 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 |
AD04009
Formula: C2H11O9P3
Smiles:
CCP(=O)(O)OP(=O)(O)O[PH](O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.02 | Num_heavy_atoms: | 14 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
