| Properties | Image |
|---|
| MNX_ID | MNXM1175054 |
 |
| reference | envipathM:...30641aedad3a |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | NNDWRTWMPIGFCD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-31(46)23(42)13-28(53-17)57-34-19(3)55-29(15-25(34)44)58-33-18(2)54-27(14-24(33)43)56-20-6-8-37(4)22-12-26(45)38(5)40(51,21(22)7-9-39(37,50)16-20)10-11-41(38,52)30-32(47)36(49)59-35(30)48/h17-34,42-47,50-52H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(O)(CCC7(O)C7C(=O)OC(=O)C7O)C6CCC5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-31(46)23(42)13-28(53-17)57-34-19(3)55-29(15-25(34)44)58-33-18(2)54-27(14-24(33)43)56-20-6-8-37(4)22-12-26(45)38(5)40(51,21(22)7-9-39(37,50)16-20)10-11-41(38,52)30-32(47)36(49)59-35(30)48/h17-34,42-47,50-52H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:31]([OH:46])[CH:23]([OH:42])[CH2:13][CH:28]([O:57][CH:34]2[CH:19]([CH3:3])[O:55][CH:29]([O:58][CH:33]3[CH:18]([CH3:2])[O:54][CH:27]([O:56][CH:20]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:22]6[CH2:12][CH:26]([OH:45])[C:38]7([CH3:5])[C:40]([OH:51])([CH2:10][CH2:11][C:41]7([CH:30]7[CH:32]([OH:47])[C:36](=[O:49])[O:59][C:35]7=[O:48])[OH:52])[CH:21]6[CH2:7][CH2:9][C:39]5([OH:50])[CH2:16]4)[CH2:14][CH:24]3[OH:43])[CH2:15][CH:25]2[OH:44])[O:53]1 |
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