Gymnemoside D

ギムネモシドD

Decided structure
Molecular formula： C₄₇H₇₈O₁₉
Molecular formula furigana： C47-H78-O19
Molecular weight： 947.122

InChI： InChI=1S/C47H78O19/c1-42(2)13-22-21-7-8-27-43(3)11-10-28(50)44(4,26(43)9-12-45(27,5)46(21,6)14-30(52)47(22,19-48)15-29(42)51)20-64-41-38(60)35(57)33(55)25(66-41)18-63-40-37(59)34(56)32(54)24(65-40)17-62-39-36(58)31(53)23(49)16-61-39/h7,22-41,48-60H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41+,43-,44-,45+,46+,47+/m0/s1

InChI key： XVMAQLWSFOYAMK-FMMUZZBQSA-N

SMILES： CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)C[C@@H]1O

Systematic name (3)：

23-[6-O-(6-O-β-D-キシロピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]オレアナ-12-エン-3β,16β,21β,28-テトラオール
(2R,3R,4S,5S,6R)-2-{[(3S,4R,4aR,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-3,8,10-トリヒドロキシ-8a-(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-4-イル]メトキシ}-6-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}メチル)オキサン-3,4,5-トリオール
(2R,3R,4S,5S,6R)-2-{[(3S,4R,4aR,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-3,8,10-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-4-yl]methoxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Other name (3)：

ギムネモシドD
Gymnemoside D
23-[6-O-(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]olean-12-ene-3β,16β,21β,28-tetrol

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