| Properties | Image |
|---|
| MNX_ID | MNXM1177737 |
 |
| reference | envipathM:...52ba19802a98 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | WNGCQVAIWCGFBX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)24(43)13-31(53-17)58-35-18(2)54-32(14-25(35)44)59-36-26(45)15-33(56-27(36)16-42)55-20-9-19-5-6-21-22(38(19,3)28(46)10-20)11-29(47)39(4)40(21,51)7-8-41(39,52)23-12-30(48)57-37(23)50/h12,17-22,24,26-29,31-37,42-43,45-47,49-52H,5-11,13-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4CC(O)C4(C)C(O)(C6=CC(=O)OC6O)CCC54O)C3)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)24(43)13-31(53-17)58-35-18(2)54-32(14-25(35)44)59-36-26(45)15-33(56-27(36)16-42)55-20-9-19-5-6-21-22(38(19,3)28(46)10-20)11-29(47)39(4)40(21,51)7-8-41(39,52)23-12-30(48)57-37(23)50/h12,17-22,24,26-29,31-37,42-43,45-47,49-52H,5-11,13-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:24]([OH:43])[CH2:13][CH:31]([O:58][CH:35]2[CH:18]([CH3:2])[O:54][CH:32]([O:59][CH:36]3[CH:26]([OH:45])[CH2:15][CH:33]([O:55][CH:20]4[CH2:9][CH:19]5[CH2:5][CH2:6][CH:21]6[CH:22]([CH2:11][CH:29]([OH:47])[C:39]7([CH3:4])[C:40]6([OH:51])[CH2:7][CH2:8][C:41]7([C:23]6=[CH:12][C:30](=[O:48])[O:57][CH:37]6[OH:50])[OH:52])[C:38]5([CH3:3])[CH:28]([OH:46])[CH2:10]4)[O:56][CH:27]3[CH2:16][OH:42])[CH2:14][C:25]2=[O:44])[O:53]1 |
|