Name: | ESCULENTOSIDE A |
CAS: | 65497-07-6 |
Synonyms: | ESCULENTOSIDE ; ESCULENTOSIDE A ; PHYTOLACCOSIDE E ; 4-O-(2,23,28-TRIHYDROXY-29-METHOXY-28,29-DIOXOOLEAN-12-EN-3-YL)PENTOPYRANOSYL HEXOPYRANOSIDE |
MDL.: | MFCD00221759 |
H bond acceptor: | 16 |
H bond donor: | 9 |
Smile: | C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@@H]1C[C@@](CC2)(C(=O)O)C(=O)OC)C |
InChi: | InChI=1S/C42H66O16/c1-37-11-13-40(4)20(21(37)15-42(14-12-37,35(51)52)36(53)54-6)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1 |
InChiKey: | InChIKey=LCWHVPVEMRQLCE-OWRBLJEPSA-N |
Property |
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Safety information |
ESCULENTOSIDE A
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