| Properties | Image |
|---|
| MNX_ID | MNXM1176662 |
 |
| reference | envipathM:...7fff24eb654d |
| formula | C41H64O19 |
| global charge | 0 |
| mol weight | 860.944 |
| InChIKey | ILWWJPPLYRJQBL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O19/c1-17-34(50)22(43)10-32(55-17)60-36-24(45)12-33(58-25(36)15-42)59-35-18(2)56-31(11-23(35)44)57-21-5-6-37(3)19(7-21)8-28(47)41(53)26(37)13-27(46)38(4)39(41,51)14-29(48)40(38,52)20-9-30(49)54-16-20/h9,17-19,21-29,31-36,42-48,50-53H,5-8,10-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4(O)C5CC(O)C5(C)C(O)(C6=CC(=O)OC6)C(O)CC45O)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O19/c1-17-34(50)22(43)10-32(55-17)60-36-24(45)12-33(58-25(36)15-42)59-35-18(2)56-31(11-23(35)44)57-21-5-6-37(3)19(7-21)8-28(47)41(53)26(37)13-27(46)38(4)39(41,51)14-29(48)40(38,52)20-9-30(49)54-16-20/h9,17-19,21-29,31-36,42-48,50-53H,5-8,10-16H2,1-4H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,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:50])[CH:22]([OH:43])[CH2:10][CH:32]([O:60][CH:36]2[CH:24]([OH:45])[CH2:12][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:56][CH:31]([O:57][CH:21]4[CH2:5][CH2:6][C:37]5([CH3:3])[CH:19]([CH2:7]4)[CH2:8][CH:28]([OH:47])[C:41]4([OH:53])[CH:26]5[CH2:13][CH:27]([OH:46])[C:38]5([CH3:4])[C:39]4([OH:51])[CH2:14][CH:29]([OH:48])[C:40]5([C:20]4=[CH:9][C:30](=[O:49])[O:54][CH2:16]4)[OH:52])[CH2:11][CH:23]3[OH:44])[O:58][CH:25]2[CH2:15][OH:42])[O:55]1 |
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