Glycoside
GD077425
Name:
NoneFormula:
C14H14O7NBrSmiles:
O=C(O)[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
Oc1c[nH]c2ccc(Br)cc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.17 | Num_heavy_atoms: | 23 |
| TPSA: | 132.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD33172
Formula: C8H6ONBr
Smiles:
Oc1c[nH]c2ccc(Br)cc12| 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 |
