Glycoside
GD018095
Name:
NoneFormula:
C13H13O6N2SBrSmiles:
O=c1[nH]c(=O)n(C2O[C@H](CO)[C@H](O)[C@H]2O)cc1-c1ccc(Br)s1Aglycone:
O=c1[nH]cc(-c2ccc(Br)s2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 405.23 | Num_heavy_atoms: | 23 |
| TPSA: | 124.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD12822
Formula: C8H5O2N2SBr
Smiles:
O=c1[nH]cc(-c2ccc(Br)s2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.11 | Num_heavy_atoms: | 14 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
