Glycoside
GD075012
Name:
NoneFormula:
C13H17O6N2BrSmiles:
Cc1c(Br)ccnc1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cc1c(Br)ccnc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.19 | Num_heavy_atoms: | 22 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD34707
Formula: C7H7ON2Br
Smiles:
Cc1c(Br)ccnc1C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.05 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
