Glycoside
GD031073
Name:
NoneFormula:
C22H22O5NBrSmiles:
CC1(C)c2ccc(OC[C@H](O)[C@H](O)CO)cc2C(=O)c2c1[nH]c1cc(Br)ccc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(Br)ccc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.32 | Num_heavy_atoms: | 29 |
| TPSA: | 102.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD20052
Formula: C18H14ONBr
Smiles:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(Br)ccc21| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 340.22 | Num_heavy_atoms: | 21 |
| TPSA: | 32.86 | NumAromaticRings: | 3 |
