Glycoside
GD033908
Name:
NoneFormula:
C25H31O5BrSmiles:
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Br)CCCC3)cc1Aglycone:
CCc1ccc(Cc2ccc3c(c2Br)CCCC3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 491.42 | Num_heavy_atoms: | 31 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD21614
Formula: C19H21Br
Smiles:
CCc1ccc(Cc2ccc3c(c2Br)CCCC3)cc1| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.28 | Num_heavy_atoms: | 20 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
