Glycoside
GD036801
Name:
NoneFormula:
C21H20O5NClS2Smiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(-c4cccs4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ncc(-c2cccs2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.97 | Num_heavy_atoms: | 29 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD23206
Formula: C15H10NClS2
Smiles:
Clc1ccccc1Cc1ncc(-c2cccs2)s1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.83 | Num_heavy_atoms: | 18 |
| TPSA: | 12.89 | NumAromaticRings: | 3 |
