Glycoside
GD063924
Name:
NoneFormula:
C11H16O6N3BrSmiles:
O=C(Cn1cc(Br)cn1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)Cn1cc(Br)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.17 | Num_heavy_atoms: | 21 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD30754
Formula: C5H6ON3Br
Smiles:
NC(=O)Cn1cc(Br)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.03 | Num_heavy_atoms: | 10 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
