Glycoside
GD088535
Name:
NoneFormula:
C16H22O6N3BrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cnc(N2CCCC2)c(Br)c1Aglycone:
NC(=O)c1cnc(N2CCCC2)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.27 | Num_heavy_atoms: | 26 |
| TPSA: | 135.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD38732
Formula: C10H12ON3Br
Smiles:
NC(=O)c1cnc(N2CCCC2)c(Br)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.13 | Num_heavy_atoms: | 15 |
| TPSA: | 59.22 | NumAromaticRings: | 1 |
