| Properties | Image |
|---|
| MNX_ID | MNXM1138953 |
 |
| reference | envipathM:...6c2638b240e4 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | XRUZEPDETGRNJK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-17-34(48)24(42)12-30(53-17)56-35-18(2)54-31(13-25(35)43)57-36-26(44)14-32(58-37(36)38(49)50)55-21-7-8-39(3)20(10-21)5-6-22-23(39)11-28(46)40(4)33(19-9-29(47)52-16-19)27(45)15-41(22,40)51/h9,17-18,20-28,30-37,42-46,48,51H,5-8,10-16H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)C(O)CC65O)C4)OC3C(=O)[O-])OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-34(48)24(42)12-30(53-17)56-35-18(2)54-31(13-25(35)43)57-36-26(44)14-32(58-37(36)38(49)50)55-21-7-8-39(3)20(10-21)5-6-22-23(39)11-28(46)40(4)33(19-9-29(47)52-16-19)27(45)15-41(22,40)51/h9,17-18,20-28,30-37,42-46,48,51H,5-8,10-16H2,1-4H3,(H,49,50)/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[CH:24]([OH:42])[CH2:12][CH:30]([O:56][CH:35]2[CH:18]([CH3:2])[O:54][CH:31]([O:57][CH:36]3[CH:26]([OH:44])[CH2:14][CH:32]([O:55][CH:21]4[CH2:7][CH2:8][C:39]5([CH3:3])[CH:20]([CH2:5][CH2:6][CH:22]6[CH:23]5[CH2:11][CH:28]([OH:46])[C:40]5([CH3:4])[CH:33]([C:19]7=[CH:9][C:29](=[O:47])[O:52][CH2:16]7)[CH:27]([OH:45])[CH2:15][C:41]65[OH:51])[CH2:10]4)[O:58][CH:37]3[C:38](=[O:49])[OH:50])[CH2:13][CH:25]2[OH:43])[O:53]1 |
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