Glycoside
GD032124
Name:
NoneFormula:
C31H31O7N7Cl2Smiles:
NC(=O)C1(NO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1Aglycone:
NC(=O)C1(NO)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 660.51 | Num_heavy_atoms: | 45 |
| TPSA: | 201.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD20629
Formula: C25H21O2N7Cl2
Smiles:
NC(=O)C1(NO)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.37 | Num_heavy_atoms: | 34 |
| TPSA: | 122.19 | NumAromaticRings: | 4 |
