Glycoside
GD025752
Name:
NoneFormula:
C22H32O8N12P2S4Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=S)(S)NCCNP(=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)NCCNP(=S)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 13 |
| MolWt: | 782.79 | Num_heavy_atoms: | 48 |
| TPSA: | 281.14 | 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 |
AD17041
Formula: C4H14O2N2P2S4
Smiles:
COP(=S)(S)NCCNP(=S)(S)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 312.38 | Num_heavy_atoms: | 14 |
| TPSA: | 42.52 | NumAromaticRings: | 0 |
