Glycoside
GD000151
Name:
NoneFormula:
C19H28O8Br2Smiles:
COc1cc(COC(C)C)c(Br)c(Br)c1OCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1cc(COC(C)C)c(Br)c(Br)c1OCCCOSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 544.23 | Num_heavy_atoms: | 29 |
| TPSA: | 106.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD00185
Formula: C14H20O4Br2
Smiles:
COc1cc(COC(C)C)c(Br)c(Br)c1OCCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.12 | Num_heavy_atoms: | 20 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
