1-O-[METHOXY(CARBOXYETHYLTHIOETHYL)] HEXOTRIOSIDE

CAS No.
CCD No.
CCD01997770
Formula
C24 H42 O18 S
MolWeight
650.644

Basic Information

Product Name: 1-O-[METHOXY(CARBOXYETHYLTHIOETHYL)] HEXOTRIOSIDE
English Synonyms: 1-O-[METHOXY(CARBOXYETHYLTHIOETHYL)] HEXOTRIOSIDE ; GALA1-4GALB1-4GLCB1-(CH2)2S(CH2)2CO2ME
MDL Number.: MFCD13182341
H bond acceptor: 18
H bond donor: 10
Smile: COC(=O)CCSCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChi: InChI=1S/C24H42O18S/c1-36-12(28)2-4-43-5-3-37-22-18(34)15(31)20(10(7-26)39-22)42-24-19(35)16(32)21(11(8-27)40-24)41-23-17(33)14(30)13(29)9(6-25)38-23/h9-11,13-27,29-35H,2-8H2,1H3/t9-,10-,11-,13+,14+,15-,16-,17-,18-,19-,20-,21+,22-,23-,24+/m1/s1
InChiKey: InChIKey=YCLNBODFVZWIDY-HZUJBJQYSA-N

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