| Properties | Image |
|---|
| MNX_ID | MNXM1194765 |
 |
| reference | envipathM:...c0ea991f9dc6 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | YKJURYBCOIEAHJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-36(49)27(44)13-33(53-18)57-38-20(3)55-34(15-29(38)46)58-37-19(2)54-32(14-28(37)45)56-22-6-8-39(4)24-11-30(47)40(5,50)35(21-10-31(48)52-17-21)26(43)12-25(42)23(24)7-9-41(39,51)16-22/h10,18-20,22-24,26-29,32-38,43-46,49-51H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C(C)(O)C(C7=CC(=O)OC7)C(O)CC(=O)C6CCC5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(49)27(44)13-33(53-18)57-38-20(3)55-34(15-29(38)46)58-37-19(2)54-32(14-28(37)45)56-22-6-8-39(4)24-11-30(47)40(5,50)35(21-10-31(48)52-17-21)26(43)12-25(42)23(24)7-9-41(39,51)16-22/h10,18-20,22-24,26-29,32-38,43-46,49-51H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[CH:27]([OH:44])[CH2:13][CH:33]([O:57][CH:38]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:37]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:24]6[CH2:11][C:30](=[O:47])[C:40]([CH3:5])([OH:50])[CH:35]([C:21]7=[CH:10][C:31](=[O:48])[O:52][CH2:17]7)[CH:26]([OH:43])[CH2:12][C:25](=[O:42])[CH:23]6[CH2:7][CH2:9][C:41]5([OH:51])[CH2:16]4)[CH2:14][CH:28]3[OH:45])[CH2:15][CH:29]2[OH:46])[O:53]1 |
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