| Properties | Image |
|---|
| MNX_ID | MNXM1172437 |
 |
| reference | envipathM:...8ee3ba5fdb82 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | LIRFCQMGSGTZTD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)24(43)12-31(53-17)58-35-18(2)54-32(13-25(35)44)59-36-26(45)14-33(56-27(36)16-42)55-20-7-8-38(3)19(9-20)5-6-21-22(38)10-28(46)39(4)40(21,51)15-29(47)41(39,52)23-11-30(48)57-37(23)50/h11,17-22,24-25,27-29,31-37,42-44,46-47,49-52H,5-10,12-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C6(O)CC(O)C5(O)C5=CC(=O)OC5O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)24(43)12-31(53-17)58-35-18(2)54-32(13-25(35)44)59-36-26(45)14-33(56-27(36)16-42)55-20-7-8-38(3)19(9-20)5-6-21-22(38)10-28(46)39(4)40(21,51)15-29(47)41(39,52)23-11-30(48)57-37(23)50/h11,17-22,24-25,27-29,31-37,42-44,46-47,49-52H,5-10,12-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:24]([OH:43])[CH2:12][CH:31]([O:58][CH:35]2[CH:18]([CH3:2])[O:54][CH:32]([O:59][CH:36]3[C:26](=[O:45])[CH2:14][CH:33]([O:55][CH:20]4[CH2:7][CH2:8][C:38]5([CH3:3])[CH:19]([CH2:5][CH2:6][CH:21]6[CH:22]5[CH2:10][CH:28]([OH:46])[C:39]5([CH3:4])[C:40]6([OH:51])[CH2:15][CH:29]([OH:47])[C:41]5([C:23]5=[CH:11][C:30](=[O:48])[O:57][CH:37]5[OH:50])[OH:52])[CH2:9]4)[O:56][CH:27]3[CH2:16][OH:42])[CH2:13][CH:25]2[OH:44])[O:53]1 |
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