Glycoside
GD097314
Name:
NoneFormula:
C15H20O9NSBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2cc(C(=O)O)ccc2Br)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)c1ccc(Br)c(S(=O)(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.29 | Num_heavy_atoms: | 27 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD41370
Formula: C9H10O5NSBr
Smiles:
O=C(O)c1ccc(Br)c(S(=O)(=O)NCCO)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 324.15 | Num_heavy_atoms: | 17 |
| TPSA: | 103.7 | NumAromaticRings: | 1 |
