Glycoside
GD011011
Name:
NoneFormula:
C8H10O4N2Br2Smiles:
OC[C@@H]1OC(n2cnc(Br)c2Br)[C@H](O)[C@H]1OAglycone:
BrC1=C(Br)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 357.99 | Num_heavy_atoms: | 16 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD08443
Formula: C3HN2Br2
Smiles:
BrC1=C(Br)N=C[N]1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 224.86 | Num_heavy_atoms: | 7 |
| TPSA: | 26.46 | NumAromaticRings: | 0 |
