Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BELT36
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| Binder Name |
(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
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| Synonyms |
CHEMBL1095352; BDBM50317551
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C48H76O19
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
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| InChI |
1S/C48H76O19/c1-20-10-15-47(43(61)67-41-36(57)33(54)31(52)24(18-49)63-41)16-17-48(42(59)60)23(29(47)21(20)2)8-9-27-45(6)13-12-28(44(4,5)26(45)11-14-46(27,48)7)65-40-37(58)34(55)38(25(19-50)64-40)66-39-35(56)32(53)30(51)22(3)62-39/h8,20-22,24-41,49-58H,9-19H2,1-7H3,(H,59,60)/t20-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39-,40+,41+,45+,46-,47+,48-/m1/s1
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| InChIKey |
CEJGXCNFSFGWOZ-MSGLJEEBSA-N
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| PubChem Compound ID | ||||
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