pladienolide B

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 206
Total Number of Articles : 181
PubChem 166639867
Molecular Formula

C30H48O8

SMILES

CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(/C)\C2[C@H](C=CC([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O

InChI

InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12?,19-11-/t18-,20+,21-,23-,24+,25-,26?,28?,29-,30-/m1/s1

synonyms
  • pladienolide B
  • 445493-23-2
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Properties
Property Value
MW 536.7 g/mol
HBD 3
HBA 8
Rotatable Bond Count 10
Exact Mass 536.33491849 g/mol
Monoisotopic Mass 536.33491849 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 880
xlogp 4.2
Topological Polar Surface Area 126