Glycoside
GD099399
Name:
NoneFormula:
C15H19O7N2SBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(Br)c(C#N)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1cc(S(=O)(=O)NCCO)ccc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.3 | Num_heavy_atoms: | 26 |
| TPSA: | 149.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD42272
Formula: C9H9O3N2SBr
Smiles:
N#Cc1cc(S(=O)(=O)NCCO)ccc1Br| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.15 | Num_heavy_atoms: | 16 |
| TPSA: | 90.19 | NumAromaticRings: | 1 |
