Try beta.chemspider
- Double-bond stereo
- 14 of 15 defined stereocentres
(1S,4aS,7S,7aS)-1-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-4'-[(1R)-1-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan] -4-carboxylic acid
C[C@H](C1=CC2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC1=O)OC(=O)/C=C/c6ccc(cc6)O
InChI=1S/C35H40O19/c1-14(50-22(38)7-4-15-2-5-16(37)6-3-15)18-10-35(54-31(18)47)9-8-17-19(30(45)46)12-48-32(23(17)35)53-34-29(44)27(42)25(40)21(52-34)13-49-33-28(43)26(41)24(39)20(11-36)51-33/h2-10,12,14,17,20-21,23-29,32-34,36-37,39-44H,11,13H2,1H3,(H,45,46)/b7-4+/t14-,17-,20-,21-,23-,24-,25-,26+,27+,28-,29-,32+,33-,34+,35?/m1/s1
BPDAGEICGCCTGJ-SRUJVCJGSA-N
CSID:22913719, http://www.chemspider.com/Chemical-Structure.22913719.html (accessed 02:52, Apr 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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