Glycoside
GD061994
Name:
NoneFormula:
C13H14O5NBrSmiles:
OC[C@H]1O[C@@H](Oc2cc3cc(Br)ccc3[nH]2)[C@H](O)[C@@H]1OAglycone:
Oc1cc2cc(Br)ccc2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.16 | Num_heavy_atoms: | 20 |
| TPSA: | 94.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD30279
Formula: C8H6ONBr
Smiles:
Oc1cc2cc(Br)ccc2[nH]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.05 | Num_heavy_atoms: | 11 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
