Glycoside
GD011322
Name:
2-[(6-bromonaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H17O6BrSmiles:
OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc2cc(Br)ccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 385.21 | Num_heavy_atoms: | 23 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD08664
Formula: C10H7OBr
Smiles:
Oc1ccc2cc(Br)ccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 223.07 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
