| Properties | Image |
|---|
| MNX_ID | MNXM1175659 |
 |
| reference | envipathM:...b38127d2b9a2 |
| formula | C41H61O18 |
| global charge | -1 |
| mol weight | 841.921 |
| InChIKey | STWJQJHAVVGSBC-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O18/c1-16-34(49)24(43)11-31(54-16)58-36-26(45)13-32(59-37(36)38(50)51)57-35-17(2)55-30(12-25(35)44)56-19-5-6-39(3)20-10-28(47)40(4)33(18-7-29(48)53-15-18)27(46)14-41(40,52)21(20)9-23(42)22(39)8-19/h7,16-17,19-28,30-37,42-47,49,52H,5-6,8-15H2,1-4H3,(H,50,51)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC45O)OC3C)OC2C(=O)[O-])CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-16-34(49)24(43)11-31(54-16)58-36-26(45)13-32(59-37(36)38(50)51)57-35-17(2)55-30(12-25(35)44)56-19-5-6-39(3)20-10-28(47)40(4)33(18-7-29(48)53-15-18)27(46)14-41(40,52)21(20)9-23(42)22(39)8-19/h7,16-17,19-28,30-37,42-47,49,52H,5-6,8-15H2,1-4H3,(H,50,51)/t16?,17?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:34]([OH:49])[CH:24]([OH:43])[CH2:11][CH:31]([O:58][CH:36]2[CH:26]([OH:45])[CH2:13][CH:32]([O:57][CH:35]3[CH:17]([CH3:2])[O:55][CH:30]([O:56][CH:19]4[CH2:5][CH2:6][C:39]5([CH3:3])[CH:20]6[CH2:10][CH:28]([OH:47])[C:40]7([CH3:4])[CH:33]([C:18]8=[CH:7][C:29](=[O:48])[O:53][CH2:15]8)[CH:27]([OH:46])[CH2:14][C:41]7([OH:52])[CH:21]6[CH2:9][CH:23]([OH:42])[CH:22]5[CH2:8]4)[CH2:12][CH:25]3[OH:44])[O:59][CH:37]2[C:38](=[O:50])[OH:51])[O:54]1 |
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