| Properties | Image |
|---|
| MNX_ID | MNXM1181647 |
 |
| reference | envipathM:...d3066bf61515 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | FTROOANZHRQFAZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-33(47)25(42)14-31(52-18)57-35-20(3)54-32(16-27(35)44)58-34-19(2)53-30(15-26(34)43)55-22-7-9-37(4)21(12-22)6-10-40(50)39(49)11-8-24(23-13-29(46)56-36(23)48)38(39,5)28(45)17-41(37,40)51/h18-26,28,30-36,42-43,45,47-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4(O)CC(O)C4(C)C(C6CC(=O)OC6O)CCC45O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-33(47)25(42)14-31(52-18)57-35-20(3)54-32(16-27(35)44)58-34-19(2)53-30(15-26(34)43)55-22-7-9-37(4)21(12-22)6-10-40(50)39(49)11-8-24(23-13-29(46)56-36(23)48)38(39,5)28(45)17-41(37,40)51/h18-26,28,30-36,42-43,45,47-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,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:33]([OH:47])[CH:25]([OH:42])[CH2:14][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:54][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:53][CH:30]([O:55][CH:22]4[CH2:7][CH2:9][C:37]5([CH3:4])[CH:21]([CH2:6][CH2:10][C:40]6([OH:50])[C:39]7([OH:49])[CH2:11][CH2:8][CH:24]([CH:23]8[CH2:13][C:29](=[O:46])[O:56][CH:36]8[OH:48])[C:38]7([CH3:5])[CH:28]([OH:45])[CH2:17][C:41]56[OH:51])[CH2:12]4)[CH2:15][CH:26]3[OH:43])[CH2:16][C:27]2=[O:44])[O:52]1 |
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