Chem
J-GLOBAL ID:200907050205569712   Nikkaji number:J1.528.401C

Notoginsenoside Rd

ノトギンセノシドRd
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: C59H100O27
Molecular formula furigana: C59-H100-O27
Molecular weight: 1241.422
InChI: InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-48(76)43(71)40(68)31(83-53)23-79-51-46(74)42(70)39(67)30(82-51)22-78-50-45(73)36(64)27(63)21-77-50)25-11-16-58(7)35(25)26(62)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)84-54-49(44(72)38(66)29(20-61)81-54)85-52-47(75)41(69)37(65)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51+,52-,53-,54-,56-,57+,58+,59-/m0/s1
InChI key: IWDYQBDCEDNTDP-BHPIZNGBSA-N
SMILES: CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C)C
Systematic name  (5):
  • [3β-[[2-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]オキシ]-12β-ヒドロキシ-5α-ダンマラ-24-エン-20-イル]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-グルコピラノシド
  • 20-[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]-12β-ヒドロキシダンマラ-24-エン-3β-イル2-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • [(20S)-12β-ヒドロキシ-20-[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]ダンマラ-24-エン-3β-イル]2-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-11-ヒドロキシ-3a,3b,6,6,9a-ペンタメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-6-メチルヘプタ-5-エン-2-イル]オキシ}-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
  • (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-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 (7):
  • [(20S)-12β-Hydroxy-20-[6-O-(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]dammara-24-ene-3β-yl]2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • 20-[6-O-(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-12β-hydroxydammara-24-ene-3β-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • ノトギンセノシドRd
  • Notoginsenoside Rd
  • [3β-[[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy]-12β-hydroxy-5α-dammara-24-ene-20-yl]6-O-(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranoside
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