Glycoside
GD022050
Name:
NoneFormula:
C20H23O6N10S2BrSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSSC[C@@H]2O[C@H](n3c(Br)nc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(CSSCC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 643.51 | Num_heavy_atoms: | 39 |
| TPSA: | 238.62 | 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 |
AD00486
Formula: C5H3N5Br
Smiles:
Nc1ncnc2c1N=C(Br)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
