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

Structure

InChI Key FMXCPANAUUDARO-BYXPRBKVSA-N
Smiles CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7OC)O)O)OCO5)OC(=O)C)OC)C
InChI
InChI=1S/C26H39NO8/c1-6-27-11-22(3)8-7-16(31-4)25-19(22)20(35-13(2)28)26(21(25)27)24(33-12-34-26)10-15(29)14-9-23(25,30)18(24)17(14)32-5/h14-21,29-30H,6-12H2,1-5H3/t14-,15+,16+,17+,18+,19-,20+,21?,22+,23+,24-,25-,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H39NO8
Molecular Weight 493.27
AlogP 0.7
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 106.92
Heavy Atoms 35.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 20057242
ChemSpider 10374293.0