Glycoside
GD016437
Name:
NoneFormula:
C35H49O17N11F3P3SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)NCc2ccc(C3(C(F)(F)F)N=N3)cc2OCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.63 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 27 |
| MolWt: | 1077.82 | Num_heavy_atoms: | 70 |
| TPSA: | 393.57 | NumAromaticRings: | 3 |
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 |
AD11835
Formula: C26H40O14N6F3P3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 20 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 24 |
| MolWt: | 842.62 | Num_heavy_atoms: | 53 |
| TPSA: | 274.26 | NumAromaticRings: | 1 |
