| Properties | Image |
|---|
| MNX_ID | MNXM1174473 |
 |
| reference | envipathM:...bbbdc70ebf94 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | QIYATTGCUHIHOC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-35(49)24(44)12-31(53-18)57-36-19(2)54-32(13-25(36)45)58-37-26(46)14-33(56-27(37)16-42)55-21-5-7-38(3)20(9-21)10-23(43)34-22(38)11-29(47)39(4)28(6-8-41(34,39)51)40(50)15-30(48)52-17-40/h18-24,26-29,31-37,42-44,46-47,49-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(C5(O)COC(=O)C5)CCC34O)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-35(49)24(44)12-31(53-18)57-36-19(2)54-32(13-25(36)45)58-37-26(46)14-33(56-27(37)16-42)55-21-5-7-38(3)20(9-21)10-23(43)34-22(38)11-29(47)39(4)28(6-8-41(34,39)51)40(50)15-30(48)52-17-40/h18-24,26-29,31-37,42-44,46-47,49-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[CH:24]([OH:44])[CH2:12][CH:31]([O:57][CH:36]2[CH:19]([CH3:2])[O:54][CH:32]([O:58][CH:37]3[CH:26]([OH:46])[CH2:14][CH:33]([O:55][CH:21]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:20]([CH2:9]4)[CH2:10][CH:23]([OH:43])[CH:34]4[CH:22]5[CH2:11][CH:29]([OH:47])[C:39]5([CH3:4])[CH:28]([C:40]6([OH:50])[CH2:15][C:30](=[O:48])[O:52][CH2:17]6)[CH2:6][CH2:8][C:41]45[OH:51])[O:56][CH:27]3[CH2:16][OH:42])[CH2:13][C:25]2=[O:45])[O:53]1 |
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