Glycoside
GD009975
Name:
NoneFormula:
C26H26O5N2Cl2SSmiles:
CC(C)(c1ccc(Cl)cc1)c1nnc(Cc2cc(C3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CC(C)(c1ccc(Cl)cc1)c1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 525.45 | Num_heavy_atoms: | 34 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD07761
Formula: C20H16N2Cl2S
Smiles:
CC(C)(c1ccc(Cl)cc1)c1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.31 | Num_heavy_atoms: | 23 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
