Glycoside
GD034100
Name:
NoneFormula:
C25H26O7NBrSmiles:
COC(=O)Cn1c2c(c3ccc(Br)cc31)C(=O)c1ccc(OC[C@H](O)[C@H](O)CO)cc1C2(C)CAglycone:
COC(=O)Cn1c2c(c3ccc(Br)cc31)C(=O)c1ccccc1C2(C)CSugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.39 | Num_heavy_atoms: | 34 |
| TPSA: | 118.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD21711
Formula: C21H18O3NBr
Smiles:
COC(=O)Cn1c2c(c3ccc(Br)cc31)C(=O)c1ccccc1C2(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 412.28 | Num_heavy_atoms: | 26 |
| TPSA: | 48.3 | NumAromaticRings: | 3 |
