CYANIDIN 3-SAMBUBIOSIDE 5-GLUCOSIDE

CAS No.
53925-33-0 ;16727-02-9
CCD No.
CCD00508315
Formula
C32 H39 O20 . Cl
MolWeight
779.093

Basic Information

Product Name: CYANIDIN 3-SAMBUBIOSIDE 5-GLUCOSIDE
CAS: 53925-33-0 ;16727-02-9
English Synonyms: CYANIDIN 3-SAMBUBIOSIDE 5-GLUCOSIDE
MDL Number.: MFCD05864892
H bond acceptor: 20
H bond donor: 13
Smile: c1cc(c(cc1c2c(cc3c([o+]2)cc(cc3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O.[Cl-]
InChi: InChI=1S/C32H38O20.ClH/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30;/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37);1H/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-;/m1./s1
InChiKey: InChIKey=UFUFUUOWFABDAK-JTEBGWLPSA-N

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