Representations & DB's id
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| ChEBI: |
None
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| ChEMBL: |
CHEMBL2271373
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| PubChem: |
76323354
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IUPAC:
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(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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Standard InChI:
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InChI=1S/C64H108O34/c1-23(22-86-56-47(80)43(76)38(71)31(16-65)88-56)8-13-64(85-5)24(2)37-30(98-64)15-29-27-7-6-25-14-26(9-11-62(25,3)28(27)10-12-63(29,37)4)87-57-50(83)46(79)52(36(21-70)93-57)94-61-55(54(42(75)35(20-69)92-61)96-59-49(82)45(78)40(73)33(18-67)90-59)97-60-51(84)53(41(74)34(19-68)91-60)95-58-48(81)44(77)39(72)32(17-66)89-58/h23-61,65-84H,6-22H2,1-5H3/t23-,24+,25+,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+,55-,56-,57-,58+,59+,60+,61+,62+,63+,64?/m1/s1
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Standard InChI Key:
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BJACSFGCYREJOG-OBAOFOJISA-N
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SMILES:
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OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)C(O2)(OC)CC[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O |
