Glycoside
GD039340
Name:
p1-p2-methylene-p3-thio-diadenosine triphosphateFormula:
C21H29O14N10P3SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)C[P@](=O)(O)O[P@](=O)(S)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)CP(=O)(O)OP(=O)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 770.51 | Num_heavy_atoms: | 49 |
| TPSA: | 357.98 | NumAromaticRings: | 4 |
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 |
AD24360
Formula: C3H11O8P3S
Smiles:
COP(=O)(O)CP(=O)(O)OP(=O)(S)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.1 | Num_heavy_atoms: | 15 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
