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

Structure

InChI Key XGJCABJTDFDRRF-VHCPLORKSA-N
Smiles C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@H]5[C@@]3(CC[C@@H](C5)O)CO)O
InChI
InChI=1S/C23H34O6/c1-21-10-18(26)20-17(3-2-14-9-15(25)4-6-22(14,20)12-24)23(21,28)7-5-16(21)13-8-19(27)29-11-13/h8,14-18,20,24-26,28H,2-7,9-12H2,1H3/t14-,15+,16-,17-,18-,20-,21-,22-,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H34O6
Molecular Weight 406.24
AlogP 1.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 107.22
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 29.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 21123695
ChemSpider 19988662.0