Glycoside
GD033333
Name:
NoneFormula:
C20H20O5NS2BrSmiles:
OC[C@@H]1O[C@H](c2ccc(Br)c(Cc3ncc(-c4ccsc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Brc1ccccc1Cc1ncc(-c2ccsc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.42 | Num_heavy_atoms: | 29 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD21288
Formula: C14H10NS2Br
Smiles:
Brc1ccccc1Cc1ncc(-c2ccsc2)s1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.28 | Num_heavy_atoms: | 18 |
| TPSA: | 12.89 | NumAromaticRings: | 3 |
