Glycoside
GD009623
Name:
NoneFormula:
C21H23O5NS2Smiles:
Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccsc2)s1Aglycone:
Cc1ccccc1Cc1ncc(-c2ccsc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.55 | Num_heavy_atoms: | 29 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD07531
Formula: C15H13NS2
Smiles:
Cc1ccccc1Cc1ncc(-c2ccsc2)s1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.41 | Num_heavy_atoms: | 18 |
| TPSA: | 12.89 | NumAromaticRings: | 3 |
