| Properties | Image |
|---|
| MNX_ID | MNXM1186449 |
 |
| reference | envipathM:...839fa0af436e |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | LBHRIMHXYPGTLE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-35(50)25(44)11-32(54-17)58-36-18(2)55-33(12-26(36)45)59-37-27(46)13-34(57-28(37)15-42)56-20-5-6-38(3)21-10-29(47)39(4)40(51,22(21)9-24(43)23(38)8-20)14-30(48)41(39,52)19-7-31(49)53-16-19/h7,17-18,20-23,25-30,32-37,42,44-48,50-52H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(=O)CC4C5CC(O)C5(C)C4(O)CC(O)C5(O)C4=CC(=O)OC4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-35(50)25(44)11-32(54-17)58-36-18(2)55-33(12-26(36)45)59-37-27(46)13-34(57-28(37)15-42)56-20-5-6-38(3)21-10-29(47)39(4)40(51,22(21)9-24(43)23(38)8-20)14-30(48)41(39,52)19-7-31(49)53-16-19/h7,17-18,20-23,25-30,32-37,42,44-48,50-52H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:50])[CH:25]([OH:44])[CH2:11][CH:32]([O:58][CH:36]2[CH:18]([CH3:2])[O:55][CH:33]([O:59][CH:37]3[CH:27]([OH:46])[CH2:13][CH:34]([O:56][CH:20]4[CH2:5][CH2:6][C:38]5([CH3:3])[CH:21]6[CH2:10][CH:29]([OH:47])[C:39]7([CH3:4])[C:40]([OH:51])([CH2:14][CH:30]([OH:48])[C:41]7([C:19]7=[CH:7][C:31](=[O:49])[O:53][CH2:16]7)[OH:52])[CH:22]6[CH2:9][C:24](=[O:43])[CH:23]5[CH2:8]4)[O:57][CH:28]3[CH2:15][OH:42])[CH2:12][CH:26]2[OH:45])[O:54]1 |
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