| Properties | Image |
|---|
| MNX_ID | MNXM1187065 |
 |
| reference | envipathM:...08c4b45ec5b9 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | PNZQWJIKDXSBQT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-34(49)23(43)10-31(54-18)58-35-19(2)55-32(11-24(35)44)59-36-25(45)12-33(57-26(36)16-42)56-21-5-7-37(3)27-13-28(46)38(4)22(20-9-30(48)53-17-20)6-8-41(38,52)39(27,50)15-29(47)40(37,51)14-21/h9,18-19,21-24,26-29,31-36,42-44,46-47,49-52H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8)CCC7(O)C6(O)CC(O)C5(O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-34(49)23(43)10-31(54-18)58-35-19(2)55-32(11-24(35)44)59-36-25(45)12-33(57-26(36)16-42)56-21-5-7-37(3)27-13-28(46)38(4)22(20-9-30(48)53-17-20)6-8-41(38,52)39(27,50)15-29(47)40(37,51)14-21/h9,18-19,21-24,26-29,31-36,42-44,46-47,49-52H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:49])[CH:23]([OH:43])[CH2:10][CH:31]([O:58][CH:35]2[CH:19]([CH3:2])[O:55][CH:32]([O:59][CH:36]3[C:25](=[O:45])[CH2:12][CH:33]([O:56][CH:21]4[CH2:5][CH2:7][C:37]5([CH3:3])[CH:27]6[CH2:13][CH:28]([OH:46])[C:38]7([CH3:4])[CH:22]([C:20]8=[CH:9][C:30](=[O:48])[O:53][CH2:17]8)[CH2:6][CH2:8][C:41]7([OH:52])[C:39]6([OH:50])[CH2:15][CH:29]([OH:47])[C:40]5([OH:51])[CH2:14]4)[O:57][CH:26]3[CH2:16][OH:42])[CH2:11][CH:24]2[OH:44])[O:54]1 |
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