Glycoside
GD100804
Name:
NoneFormula:
C18H19O6N4SBrSmiles:
Cc1c(Br)cccc1S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1c(Br)cccc1S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.34 | Num_heavy_atoms: | 30 |
| TPSA: | 146.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD42583
Formula: C13H10O2N4SBr
Smiles:
Cc1c(Br)cccc1S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.22 | Num_heavy_atoms: | 21 |
| TPSA: | 86.05 | NumAromaticRings: | 2 |
