Glycoside
GD036596
Name:
NoneFormula:
C30H33O9N12ClSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](O)[C@H]1OAglycone:
CN(CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 12 |
| MolWt: | 729.11 | Num_heavy_atoms: | 51 |
| TPSA: | 294.23 | 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 |
AD23072
Formula: C11H13O3N2Cl
Smiles:
CN(CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 244.68 | Num_heavy_atoms: | 16 |
| TPSA: | 66.61 | NumAromaticRings: | 1 |
