| Properties | Image |
|---|
| MNX_ID | MNXM1179771 |
 |
| reference | envipathM:...7077a0440c5d |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | WXLMAIINNGEKEJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-34(49)24(44)12-30(54-18)58-35-19(2)55-31(13-25(35)45)59-36-26(46)14-32(57-27(36)16-42)56-21-5-6-37(3)20(9-21)10-23(43)33-22(37)11-28(47)38(4)40(33,51)7-8-41(38,52)39(50)15-29(48)53-17-39/h16,18-28,30-36,43-47,49-52H,5-15,17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C4(O)CCC5(O)C4(O)COC(=O)C4)OC3C=O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-34(49)24(44)12-30(54-18)58-35-19(2)55-31(13-25(35)45)59-36-26(46)14-32(57-27(36)16-42)56-21-5-6-37(3)20(9-21)10-23(43)33-22(37)11-28(47)38(4)40(33,51)7-8-41(38,52)39(50)15-29(48)53-17-39/h16,18-28,30-36,43-47,49-52H,5-15,17H2,1-4H3/t18?,19?,20?,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:18]1[CH:34]([OH:49])[CH:24]([OH:44])[CH2:12][CH:30]([O:58][CH:35]2[CH:19]([CH3:2])[O:55][CH:31]([O:59][CH:36]3[CH:26]([OH:46])[CH2:14][CH:32]([O:56][CH:21]4[CH2:5][CH2:6][C:37]5([CH3:3])[CH:20]([CH2:9]4)[CH2:10][CH:23]([OH:43])[CH:33]4[CH:22]5[CH2:11][CH:28]([OH:47])[C:38]5([CH3:4])[C:40]4([OH:51])[CH2:7][CH2:8][C:41]5([C:39]4([OH:50])[CH2:15][C:29](=[O:48])[O:53][CH2:17]4)[OH:52])[O:57][CH:27]3[CH:16]=[O:42])[CH2:13][CH:25]2[OH:45])[O:54]1 |
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