Glycoside
GD012175
Name:
NoneFormula:
C16H18O5NSBrSmiles:
OC[C@@H]1O[C@H](c2nc(Br)c(Cc3ccccc3)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Brc1ncsc1Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.29 | Num_heavy_atoms: | 24 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD09197
Formula: C10H8NSBr
Smiles:
Brc1ncsc1Cc1ccccc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.15 | Num_heavy_atoms: | 13 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
