| Properties | Image |
|---|
| MNX_ID | MNXM1176525 |
 |
| reference | envipathM:...0fc7503b8c83 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | GEBRMYGZCVEISY-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-17-36(51)27(44)13-34(53-17)57-38-19(3)55-35(15-29(38)46)58-37-18(2)54-33(14-28(37)45)56-21-9-25-26(43)11-24-23(39(25,4)30(47)10-21)12-31(48)40(5)22(6-7-41(24,40)52)20(16-42)8-32(49)50/h8,16-19,21-30,33-38,43-47,51-52H,6-7,9-15H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)C(O)CC4C5CC(=O)C5(C)C(C(C=O)=CC(=O)[O-])CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-36(51)27(44)13-34(53-17)57-38-19(3)55-35(15-29(38)46)58-37-18(2)54-33(14-28(37)45)56-21-9-25-26(43)11-24-23(39(25,4)30(47)10-21)12-31(48)40(5)22(6-7-41(24,40)52)20(16-42)8-32(49)50/h8,16-19,21-30,33-38,43-47,51-52H,6-7,9-15H2,1-5H3,(H,49,50)/b20-8?/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:51])[CH:27]([OH:44])[CH2:13][CH:34]([O:57][CH:38]2[CH:19]([CH3:3])[O:55][CH:35]([O:58][CH:37]3[CH:18]([CH3:2])[O:54][CH:33]([O:56][CH:21]4[CH2:9][CH:25]5[CH:26]([OH:43])[CH2:11][CH:24]6[CH:23]([CH2:12][C:31](=[O:48])[C:40]7([CH3:5])[CH:22]([C:20](=[CH:8][C:32](=[O:49])[OH:50])[CH:16]=[O:42])[CH2:6][CH2:7][C:41]67[OH:52])[C:39]5([CH3:4])[CH:30]([OH:47])[CH2:10]4)[CH2:14][CH:28]3[OH:45])[CH2:15][CH:29]2[OH:46])[O:53]1 |
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