| Properties | Image |
|---|
| MNX_ID | MNXM1171846 |
 |
| reference | envipathM:...3002f32b8356 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | APLNCKBKINBNJM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-23(24-12-32(48)56-39(24)50)6-7-30(46)41(51)9-8-21-10-22(11-31(47)40(21,5)29(41)13-25(17)42)55-33-15-27(44)37(19(3)53-33)58-35-16-28(45)38(20(4)54-35)57-34-14-26(43)36(49)18(2)52-34/h12,17-23,26-29,31,33-39,43-45,47,49-51H,6-11,13-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6(O)C(=O)CCC(C7=CC(=O)OC7O)C(C)C(=O)CC65)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-23(24-12-32(48)56-39(24)50)6-7-30(46)41(51)9-8-21-10-22(11-31(47)40(21,5)29(41)13-25(17)42)55-33-15-27(44)37(19(3)53-33)58-35-16-28(45)38(20(4)54-35)57-34-14-26(43)36(49)18(2)52-34/h12,17-23,26-29,31,33-39,43-45,47,49-51H,6-11,13-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,26?,27?,28?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:23]([C:24]2=[CH:12][C:32](=[O:48])[O:56][CH:39]2[OH:50])[CH2:6][CH2:7][C:30](=[O:46])[C:41]2([OH:51])[CH2:9][CH2:8][CH:21]3[CH2:10][CH:22]([O:55][CH:33]4[CH2:15][CH:27]([OH:44])[CH:37]([O:58][CH:35]5[CH2:16][CH:28]([OH:45])[CH:38]([O:57][CH:34]6[CH2:14][CH:26]([OH:43])[CH:36]([OH:49])[CH:18]([CH3:2])[O:52]6)[CH:20]([CH3:4])[O:54]5)[CH:19]([CH3:3])[O:53]4)[CH2:11][CH:31]([OH:47])[C:40]3([CH3:5])[CH:29]2[CH2:13][C:25]1=[O:42] |
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