Representations & DB's id
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| ChEBI: |
None
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| ChEMBL: |
CHEMBL2271372
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| PubChem: |
11115917
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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-hydroxy-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/C63H106O34/c1-22(21-85-55-46(79)42(75)37(70)30(15-64)87-55)7-12-63(84)23(2)36-29(97-63)14-28-26-6-5-24-13-25(8-10-61(24,3)27(26)9-11-62(28,36)4)86-56-49(82)45(78)51(35(20-69)92-56)93-60-54(53(41(74)34(19-68)91-60)95-58-48(81)44(77)39(72)32(17-66)89-58)96-59-50(83)52(40(73)33(18-67)90-59)94-57-47(80)43(76)38(71)31(16-65)88-57/h22-60,64-84H,5-21H2,1-4H3/t22-,23+,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?/m1/s1
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Standard InChI Key:
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AKJDKTDYXQFGLE-ZCFGNOHQSA-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)(O)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 |
