| Properties | Image |
|---|
| MNX_ID | MNXM1173834 |
 |
| reference | envipathM:...307cc1b13311 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | RHRGGTDLBNVUJD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-35(49)25(43)12-32(53-17)57-37-19(3)55-33(14-27(37)45)58-36-18(2)54-31(13-26(36)44)56-23-10-22-7-8-24(38(50)39(22,5)29(47)11-23)41(51)15-28(46)34(40(41,6)20(4)42)21-9-30(48)52-16-21/h9,17-19,22-29,31-37,43-47,49,51H,7-8,10-16H2,1-6H3 |
| SMILES | CC(=O)C1(C)C(C2=CC(=O)OC2)C(O)CC1(O)C1CCC2CC(OC3CC(O)C(OC4CC(O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)C(C)O3)CC(O)C2(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-35(49)25(43)12-32(53-17)57-37-19(3)55-33(14-27(37)45)58-36-18(2)54-31(13-26(36)44)56-23-10-22-7-8-24(38(50)39(22,5)29(47)11-23)41(51)15-28(46)34(40(41,6)20(4)42)21-9-30(48)52-16-21/h9,17-19,22-29,31-37,43-47,49,51H,7-8,10-16H2,1-6H3/t17?,18?,19?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[CH:25]([OH:43])[CH2:12][CH:32]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:10][CH:22]5[CH2:7][CH2:8][CH:24]([C:41]6([OH:51])[CH2:15][CH:28]([OH:46])[CH:34]([C:21]7=[CH:9][C:30](=[O:48])[O:52][CH2:16]7)[C:40]6([CH3:6])[C:20]([CH3:4])=[O:42])[C:38](=[O:50])[C:39]5([CH3:5])[CH:29]([OH:47])[CH2:11]4)[CH2:13][CH:26]3[OH:44])[CH2:14][CH:27]2[OH:45])[O:53]1 |
|