Glycoside
GD027128
Name:
NoneFormula:
C29H34O12N12SSmiles:
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc21)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCO.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OOC(O)C1O.OCOC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 774.73 | Num_heavy_atoms: | 54 |
| TPSA: | 337.6 | NumAromaticRings: | 5 |
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 |
AD17856
Formula: C10H14O6N2S
Smiles:
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCO| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 290.3 | Num_heavy_atoms: | 19 |
| TPSA: | 109.98 | NumAromaticRings: | 1 |
