Representations & DB's id
|
| |
| ChEBI: |
None
|
| ChEMBL: |
CHEMBL594736
|
| PubChem: |
46226470
|
|
IUPAC:
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxyoxane-2-carboxylic acid
|
|
Standard InChI:
|
InChI=1S/C43H64O16/c1-38(2)22-9-12-43(7)32(21(44)17-19-20-18-40(4,37(53)54)14-13-39(20,3)15-16-42(19,43)6)41(22,5)11-10-23(38)56-36-31(27(48)26(47)29(57-36)33(50)51)59-35-28(49)24(45)25(46)30(58-35)34(52)55-8/h17,20,22-32,35-36,45-49H,9-16,18H2,1-8H3,(H,50,51)(H,53,54)/t20-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,35-,36+,39+,40-,41-,42+,43+/m0/s1
|
|
Standard InChI Key:
|
JENBECQUKVEUTQ-ILVQQCHOSA-N
|
|
SMILES:
|
COC(=O)[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C(=O)C=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@](C)(CC2)C(=O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
