Glycoside
GD097069
Name:
NoneFormula:
C16H19O7N4SBrSmiles:
Cc1cc(Br)ccc1S(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1cc(Br)ccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.32 | Num_heavy_atoms: | 29 |
| TPSA: | 177.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD41259
Formula: C11H10O3N4SBr
Smiles:
Cc1cc(Br)ccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.2 | Num_heavy_atoms: | 20 |
| TPSA: | 115.72 | NumAromaticRings: | 1 |
