Glycoside
GD070241
Name:
NoneFormula:
C17H17O6N2ClSmiles:
O[C@H]1[C@@H](O)[C@@H](c2nnc([C@H]3C[C@@H]3c3ccc(Cl)cc3)o2)O[C@@H](O)[C@@H]1OAglycone:
Clc1ccc(C2CC2c2nnco2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.77 | Num_heavy_atoms: | 25 |
| TPSA: | 129.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD33266
Formula: C12H9ON2Cl
Smiles:
Clc1ccc(C2CC2c2nnco2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.66 | Num_heavy_atoms: | 15 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
