Chem
J-GLOBAL ID：201907001694097662   Nikkaji number：J3.739.517J

Rugosin G

ルゴシンG
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C123H86O75
Molecular formula furigana： C123-H86-O75
Molecular weight： 2763.966
InChI： InChI=1S/C123H86O75/c124-41-1-26(2-42(125)75(41)147)72(144)103-109(196-115(173)30-9-49(132)79(151)50(133)10-30)106(193-112(170)27-3-43(126)76(148)44(127)4-27)100-63(187-103)23-183-119(177)37-21-61(88(160)94(166)70(37)68-35(122(180)190-100)17-57(140)84(156)92(68)164)185-99-40(20-60(143)87(159)97(99)169)74(146)105-111(198-117(175)32-13-53(136)81(153)54(137)14-32)108(195-114(172)29-7-47(130)78(150)48(131)8-29)102-65(189-105)25-184-120(178)38-22-62(89(161)95(167)71(38)69-36(123(181)192-102)18-58(141)85(157)93(69)165)186-98-39(19-59(142)86(158)96(98)168)73(145)104-110(197-116(174)31-11-51(134)80(152)52(135)12-31)107(194-113(171)28-5-45(128)77(149)46(129)6-28)101-64(188-104)24-182-118(176)33-15-55(138)82(154)90(162)66(33)67-34(121(179)191-101)16-56(139)83(155)91(67)163/h1-22,63-65,100-111,124-143,147-169H,23-25H2/t63-,64-,65-,100-,101-,102-,103?,104?,105?,106+,107+,108+,109+,110+,111+/m1/s1
InChI key： BWUDXEMCGRGNIF-FKPWINRESA-N
SMILES： C1(O[C@H]2[C@H]([C@@H]([C@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c3c(C(=O)OC2)cc(c(c3O)O)Oc2c(cc(c(c2O)O)O)C(=O)C2O[C@H]3[C@H]([C@@H]([C@H]2OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2c(c4c(C(=O)OC3)cc(c(c4O)O)Oc3c(cc(c(c3O)O)O)C(=O)C3O[C@H]4[C@H]([C@@H]([C@H]3OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3c(c5c(C(=O)OC4)cc(c(c5O)O)O)c(c(c(c3)O)O)O)c(c(c(c2)O)O)O)c(c(c(c1)O)O)O)C(=O)c1cc(c(c(c1)O)O)O
Systematic name  (2)：
  • (10R,11S,12R,15R)-21-{6-[(10R,11S,12R,15R)-21-{6-[(10R,11S,12R,15R)-3,4,5,21,22,23-ヘキサヒドロキシ-8,18-ジオキソ-11,12-ビス(3,4,5-トリヒドロキシベンゾイルオキシ)-9,14,17-トリオキサテトラシクロ[17.4.0.02,7.010,15]トリコサ-1(19),2(7),3,5,20,22-ヘキサエン-13-カルボニル]-2,3,4-トリヒドロキシフェノキシ}-3,4,5,22,23-ペンタヒドロキシ-8,18-ジオキソ-11,12-ビス(3,4,5-トリヒドロキシベンゾイルオキシ)-9,14,17-トリオキサテトラシクロ[17.4.0.02,7.010,15]トリコサ-1(19),2(7),3,5,20,22-ヘキサエン-13-カルボニル]-2,3,4-トリヒドロキシフェノキシ}-3,4,5,22,23-ペンタヒドロキシ-8,18-ジオキソ-13-(3,4,5-トリヒドロキシベンゾイル)-12-(3,4,5-トリヒドロキシベンゾイルオキシ)-9,14,17-トリオキサテトラシクロ[17.4.0.02,7.010,15]トリコサ-1(19),2(7),3,5,20,22-ヘキサエン-11-イル3,4,5-トリヒドロキシベンゾアート
  • (10R,11S,12R,15R)-21-{6-[(10R,11S,12R,15R)-21-{6-[(10R,11S,12R,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(19),2(7),3,5,20,22-hexaene-13-carbonyl]-2,3,4-trihydroxyphenoxy}-3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(19),2(7),3,5,20,22-hexaene-13-carbonyl]-2,3,4-trihydroxyphenoxy}-3,4,5,22,23-pentahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(19),2(7),3,5,20,22-hexaen-11-yl 3,4,5-trihydroxybenzoate
Other name (2)：
  • ルゴシンG
  • Rugosin G
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM