Glycoside
GD014699
Name:
NoneFormula:
C21H19O6N3Cl2Smiles:
O=c1n(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nc2cc(Cl)ccn12Aglycone:
O=c1n(Cc2ccccc2Cl)nc2cc(Cl)ccn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.28 | Num_heavy_atoms: | 30 |
| TPSA: | 129.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD10779
Formula: C15H9ON3Cl2
Smiles:
O=c1n(Cc2ccccc2Cl)nc2cc(Cl)ccn12| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.14 | Num_heavy_atoms: | 19 |
| TPSA: | 39.3 | NumAromaticRings: | 3 |
