| Properties | Image |
|---|
| MNX_ID | MNXM1178376 |
 |
| reference | envipathM:...a486548f40f6 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | QCXODRYDIWRQPW-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-17-35(51)23(43)10-31(54-17)58-37-19(3)56-32(12-25(37)45)59-36-18(2)55-30(11-24(36)44)57-21-6-7-38(4)22-9-28(48)39(5)33(20(16-42)8-29(49)50)27(47)15-41(39,53)34(22)26(46)14-40(38,52)13-21/h8,16-19,21-28,30-37,43-48,51-53H,6-7,9-15H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C(C=O)=CC(=O)[O-])C(O)CC7(O)C6C(O)CC5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-35(51)23(43)10-31(54-17)58-37-19(3)56-32(12-25(37)45)59-36-18(2)55-30(11-24(36)44)57-21-6-7-38(4)22-9-28(48)39(5)33(20(16-42)8-29(49)50)27(47)15-41(39,53)34(22)26(46)14-40(38,52)13-21/h8,16-19,21-28,30-37,43-48,51-53H,6-7,9-15H2,1-5H3,(H,49,50)/b20-8?/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:51])[CH:23]([OH:43])[CH2:10][CH:31]([O:58][CH:37]2[CH:19]([CH3:3])[O:56][CH:32]([O:59][CH:36]3[CH:18]([CH3:2])[O:55][CH:30]([O:57][CH:21]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:22]6[CH2:9][CH:28]([OH:48])[C:39]7([CH3:5])[CH:33]([C:20](=[CH:8][C:29](=[O:49])[OH:50])[CH:16]=[O:42])[CH:27]([OH:47])[CH2:15][C:41]7([OH:53])[CH:34]6[CH:26]([OH:46])[CH2:14][C:40]5([OH:52])[CH2:13]4)[CH2:11][CH:24]3[OH:44])[CH2:12][CH:25]2[OH:45])[O:54]1 |
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