Glycoside
GD088558
Name:
NoneFormula:
C13H19O7N2SBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(Br)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(Br)cn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.27 | Num_heavy_atoms: | 24 |
| TPSA: | 138.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD38746
Formula: C7H9O3N2SBr
Smiles:
O=S(=O)(NCCO)c1ccc(Br)cn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.13 | Num_heavy_atoms: | 14 |
| TPSA: | 79.29 | NumAromaticRings: | 1 |
