PHYLLANTHOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H52O17
Molecular Weight	804.8307
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CO[C@@]3(C[C@@H]1OC(=O)\C=C\C2=CC=CC=C2)O[C@@H]4C[C@H](CC[C@@H]4[C@@]35CO5)C(=O)O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@H]6O[C@@H]7O[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@H]7O

InChI

InChIKey=VOTNXJVGRXZYOA-VFRDRLLTSA-N

InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26+,27-,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NSC-328426

Preferred Name

English

PHYLLANTHOSIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSE, 2-O-(3-O-ACETYL-6-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-6-DEOXY-, 3-ACETATE 1-((2R,2'S,3'AS,4''S,5''R,6'S,7'AR)-DECAHYDRO-5''-METHYL-4''-(((2E)-1-OXO-3-PHENYL-2-PROPEN-1-YL)OXY)DISPIRO(OXIRANE-2,3'(2'H)-BENZOFURAN-2',2''-(2H)PYRAN)-6'-CA

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66894