| Properties | Image |
|---|
| MNX_ID | MNXM1178857 |
 |
| reference | envipathM:...91ce58e0d28d |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | XAPNFUMCUPVRLC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-17-33(48)24(42)13-31(53-17)58-35-19(3)55-32(15-26(35)44)59-34-18(2)54-30(14-25(34)43)56-21-10-20-6-7-22-23(37(20,4)27(45)11-21)12-28(46)38(5)39(22,50)8-9-41(38,52)40(51)16-29(47)57-36(40)49/h17-28,30-36,42-46,48-52H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5CC(O)C5(C)C6(O)CCC5(O)C5(O)CC(=O)OC5O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-17-33(48)24(42)13-31(53-17)58-35-19(3)55-32(15-26(35)44)59-34-18(2)54-30(14-25(34)43)56-21-10-20-6-7-22-23(37(20,4)27(45)11-21)12-28(46)38(5)39(22,50)8-9-41(38,52)40(51)16-29(47)57-36(40)49/h17-28,30-36,42-46,48-52H,6-16H2,1-5H3/t17?,18?,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:17]1[CH:33]([OH:48])[CH:24]([OH:42])[CH2:13][CH:31]([O:58][CH:35]2[CH:19]([CH3:3])[O:55][CH:32]([O:59][CH:34]3[CH:18]([CH3:2])[O:54][CH:30]([O:56][CH:21]4[CH2:10][CH:20]5[CH2:6][CH2:7][CH:22]6[CH:23]([CH2:12][CH:28]([OH:46])[C:38]7([CH3:5])[C:39]6([OH:50])[CH2:8][CH2:9][C:41]7([C:40]6([OH:51])[CH2:16][C:29](=[O:47])[O:57][CH:36]6[OH:49])[OH:52])[C:37]5([CH3:4])[CH:27]([OH:45])[CH2:11]4)[CH2:14][CH:25]3[OH:43])[CH2:15][CH:26]2[OH:44])[O:53]1 |
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