Glycoside
GD091181
Name:
NoneFormula:
C15H22O7NSBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)Cc2cccc(Br)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(Cc1cccc(Br)c1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.31 | Num_heavy_atoms: | 25 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD39746
Formula: C9H12O3NSBr
Smiles:
O=S(=O)(Cc1cccc(Br)c1)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 294.17 | Num_heavy_atoms: | 15 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
