Glycoside
GD082021
Name:
NoneFormula:
C14H20O6N3BrSmiles:
CC(C)(C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ncc(Br)cn1Aglycone:
CC(C)(C(N)=O)c1ncc(Br)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.23 | Num_heavy_atoms: | 24 |
| TPSA: | 145.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD36830
Formula: C8H10ON3Br
Smiles:
CC(C)(C(N)=O)c1ncc(Br)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.09 | Num_heavy_atoms: | 13 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
