Keyword(s): Natural Toxins
Molecule Category Free-form

Structure

InChI Key SUNMINJOPDFLOZ-GMKHGAMUSA-N
Smiles CCC(C)CC(=O)O[C@H]1C=C2[C@@H](C[C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C
InChI
InChI=1S/C24H34O8/c1-6-15(4)8-22(27)31-20-9-18-17(11-28-16(5)25)12-29-23(32-21(26)7-14(2)3)19(18)10-24(20)13-30-24/h9,12,14-15,19-20,23H,6-8,10-11,13H2,1-5H3/t15?,19-,20+,23+,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H34O8
Molecular Weight 450.23
AlogP 3.44
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 9.0
Polar Surface Area 100.66
Heavy Atoms 32.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 101915959