| Properties | Image |
|---|
| MNX_ID | MNXM1188220 |
 |
| reference | envipathM:...22403aba60a7 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | MWIKHOYPTYMMSO-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)23(43)11-30(53-17)58-35-18(2)54-31(12-24(35)44)59-36-25(45)13-32(56-27(36)16-42)55-19-5-7-38(3)22-10-28(47)39(4)33(20-9-29(48)57-37(20)50)26(46)15-41(39,52)21(22)6-8-40(38,51)14-19/h9,17-19,21-28,30-36,42-47,49,51-52H,5-8,10-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8=O)C(O)CC7(O)C6CCC5(O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)23(43)11-30(53-17)58-35-18(2)54-31(12-24(35)44)59-36-25(45)13-32(56-27(36)16-42)55-19-5-7-38(3)22-10-28(47)39(4)33(20-9-29(48)57-37(20)50)26(46)15-41(39,52)21(22)6-8-40(38,51)14-19/h9,17-19,21-28,30-36,42-47,49,51-52H,5-8,10-16H2,1-4H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:23]([OH:43])[CH2:11][CH:30]([O:58][CH:35]2[CH:18]([CH3:2])[O:54][CH:31]([O:59][CH:36]3[CH:25]([OH:45])[CH2:13][CH:32]([O:55][CH:19]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:22]6[CH2:10][CH:28]([OH:47])[C:39]7([CH3:4])[CH:33]([C:20]8=[CH:9][C:29](=[O:48])[O:57][C:37]8=[O:50])[CH:26]([OH:46])[CH2:15][C:41]7([OH:52])[CH:21]6[CH2:6][CH2:8][C:40]5([OH:51])[CH2:14]4)[O:56][CH:27]3[CH2:16][OH:42])[CH2:12][CH:24]2[OH:44])[O:53]1 |
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