| Properties | Image |
|---|
| MNX_ID | MNXM1224107 |
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| reference | envipathM:...6142497264bb |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | ZXPNAFZEMCUCGM-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(50)24(43)12-33(53-18)58-37-20(3)55-34(14-26(37)45)59-36-19(2)54-32(13-25(36)44)56-22-6-8-38(4)27-15-28(46)39(5)23(21(17-42)10-30(47)48)7-9-41(39,52)40(27,51)16-31(49)57-29(38)11-22/h10,18-20,22-29,32-37,42-46,50-52H,6-9,11-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)OC(=O)CC4(O)C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(50)24(43)12-33(53-18)58-37-20(3)55-34(14-26(37)45)59-36-19(2)54-32(13-25(36)44)56-22-6-8-38(4)27-15-28(46)39(5)23(21(17-42)10-30(47)48)7-9-41(39,52)40(27,51)16-31(49)57-29(38)11-22/h10,18-20,22-29,32-37,42-46,50-52H,6-9,11-17H2,1-5H3,(H,47,48)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[CH:24]([OH:43])[CH2:12][CH:33]([O:58][CH:37]2[CH:20]([CH3:3])[O:55][CH:34]([O:59][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:22]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:27]6[CH2:15][CH:28]([OH:46])[C:39]7([CH3:5])[CH:23]([C:21](=[CH:10][C:30](=[O:47])[OH:48])[CH2:17][OH:42])[CH2:7][CH2:9][C:41]7([OH:52])[C:40]6([OH:51])[CH2:16][C:31](=[O:49])[O:57][CH:29]5[CH2:11]4)[CH2:13][CH:25]3[OH:44])[CH2:14][CH:26]2[OH:45])[O:53]1 |
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