Glycoside
GD003252
Name:
NoneFormula:
C22H30O11N10P2S4Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=S)(S)OC(O)COP(=S)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=S)(S)OCC(O)OP(=S)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 13 |
| MolWt: | 800.76 | Num_heavy_atoms: | 49 |
| TPSA: | 295.77 | 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 |
AD02963
Formula: C4H12O5P2S4
Smiles:
COP(=S)(S)OCC(O)OP(=S)(S)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 330.35 | Num_heavy_atoms: | 15 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
