Glycoside
GD080825
Name:
NoneFormula:
C15H16O6N3BrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ncnc2ccc(Br)cc12Aglycone:
NC(=O)c1ncnc2ccc(Br)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.21 | Num_heavy_atoms: | 25 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD36487
Formula: C9H6ON3Br
Smiles:
NC(=O)c1ncnc2ccc(Br)cc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 252.07 | Num_heavy_atoms: | 14 |
| TPSA: | 68.87 | NumAromaticRings: | 2 |
