Glycoside
GD101141
Name:
NoneFormula:
C12H16O6N2SBr2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2sc(Br)nc2Br)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1sc(Br)nc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.14 | Num_heavy_atoms: | 23 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD42750
Formula: C6H6O2N2SBr2
Smiles:
O=C(NCCO)c1sc(Br)nc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.0 | Num_heavy_atoms: | 13 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
