Glycoside
GD096129
Name:
NoneFormula:
C14H18O7N2ClSBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1cc(Br)cnc1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.72 | Num_heavy_atoms: | 25 |
| TPSA: | 138.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD40885
Formula: C8H8O3N2ClSBr
Smiles:
O=S(=O)(NCCO)c1cc(Br)cnc1Cl| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.58 | Num_heavy_atoms: | 15 |
| TPSA: | 79.29 | NumAromaticRings: | 1 |
