Archasteroside A
FEATURES
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NAMES
  • Archasteroside A
SMILES
CC[C@@H](C(C)C)[C@@H]1O[C@H]1[C@@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)C3=CC[C@@]21C.[Na+]
InChI
InChI=1S/C59H98O29S.Na/c1-11-26(20(2)3)46-51(83-46)59(10,73)50-31(61)18-29-27-17-32(30-16-25(88-89(74,75)76)12-14-57(30,8)28(27)13-15-58(29,50)9)81-54-44(72)47(37(65)33(19-60)82-54)85-56-49(87-53-42(70)39(67)35(63)22(5)78-53)43(71)45(24(7)80-56)84-55-48(40(68)36(64)23(6)79-55)86-52-41(69)38(66)34(62)21(4)77-52;/h13,20-27,29-56,60-73H,11-12,14-19H2,1-10H3,(H,74,75,76);/q;+1/p-1/t21-,22-,23-,24-,25+,26+,27-,29+,30-,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42-,43+,44-,45-,46+,47+,48-,49-,50+,51-,52+,53+,54-,55+,56+,57-,58+,59+;/m1./s1
MOLECULAR FORMULA
C59H97NaO29S
CROSS REFERENCES
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Archasteroside A
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight1324.57
AlogP-6.21
HBond donors14
HBond acceptors29
Atoms187
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Archasteroside A.