Chem
J-GLOBAL ID：200907082796812849   Nikkaji number：J585.263C

Glycoside B

グリコシドB
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： C48H76O19
Molecular formula furigana： C48-H76-O19
Molecular weight： 957.117
InChI： InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(67-40-33(56)31(54)29(52)24(20-50)63-40)35(34(57)36(66-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
InChI key： YDZWHGJRWMQCDP-NKILCQAGSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (5)：
  • 3β-[(3-O-β-D-ガラクトピラノシル-2-O-β-D-グルコピラノシル-β-D-グルコピラヌロノシル)オキシ]オレアナ-12-エン-28-酸
  • 3β-(2-O-β-D-グルコピラノシル-3-O-β-D-ガラクトピラノシル-β-D-グルコピラヌロノシルオキシ)オレアナ-12-エン-28-酸
  • 3β-[(2-O-β-D-グルコピラノシル-3-O-β-D-ガラクトピラノシル-β-D-グルコピラヌロノシル)オキシ]オレアナ-12-エン-28-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-カルボキシ-4,4,6a,6b,11,11,14b-ヘプタメチル-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-3-イル]オキシ}-3-ヒドロキシ-4-{[(2S,3R,4S,5R,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}-5-{[(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-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (9)：
  • サポノシドS2
  • Saponoside S2
  • 3β-[(3-O-β-D-Galactopyranosyl-2-O-β-D-glucopyranosyl-β-D-glucopyranuronosyl)oxy]olean-12-en-28-oic acid
  • 3β-(2-O-β-D-Glucopyranosyl-3-O-β-D-galactopyranosyl-β-D-glucopyranuronosyloxy)oleana-12-ene-28-oic acid
  • グリコシドB
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