Glycoside
GD102087
Name:
NoneFormula:
C19H20O6N5BrSmiles:
CCc1c(Br)cccc1C(=O)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCc1c(Br)cccc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.3 | Num_heavy_atoms: | 31 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43212
Formula: C14H12O2N5Br
Smiles:
CCc1c(Br)cccc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.19 | Num_heavy_atoms: | 22 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
