Glycoside
GD073086
Name:
NoneFormula:
C13H20O6N3BrSmiles:
Cc1nn(CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(C)c1BrAglycone:
Cc1nn(CCN)c(C)c1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 394.22 | Num_heavy_atoms: | 23 |
| TPSA: | 144.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD33958
Formula: C7H12N3Br
Smiles:
Cc1nn(CCN)c(C)c1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.1 | Num_heavy_atoms: | 11 |
| TPSA: | 43.84 | NumAromaticRings: | 1 |
