Glycoside
GD098611
Name:
NoneFormula:
C15H22O8NSBrSmiles:
COc1ccc(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1BrAglycone:
COc1ccc(S(=O)(=O)NCCO)cc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.31 | Num_heavy_atoms: | 26 |
| TPSA: | 134.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD41938
Formula: C9H12O4NSBr
Smiles:
COc1ccc(S(=O)(=O)NCCO)cc1Br| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 310.17 | Num_heavy_atoms: | 16 |
| TPSA: | 75.63 | NumAromaticRings: | 1 |
