Glycoside
GD098361
Name:
NoneFormula:
C19H21O7N3Cl2Smiles:
OC[C@H]1O[C@@](CO)(OCCn2cc(COc3ccc(Cl)cc3Cl)nn2)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(COc2ccc(Cl)cc2Cl)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 450.28 | Num_heavy_atoms: | 29 |
| TPSA: | 139.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD41838
Formula: C13H11O2N3Cl2
Smiles:
OCCn1cc(COc2ccc(Cl)cc2Cl)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.13 | Num_heavy_atoms: | 18 |
| TPSA: | 60.17 | NumAromaticRings: | 2 |
