| Properties | Image |
|---|
| MNX_ID | MNXM1195574 |
 |
| reference | envipathM:...e0742e2f74c1 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | HYWFHAACCQACQR-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-35(56-33-13-25(43)34(48)28(16-42)55-33)26(44)14-31(53-18)57-36-27(45)15-32(58-37(36)38(49)50)54-21-6-8-39(2)20(11-21)4-5-23-24(39)12-29(46)40(3)22(7-9-41(23,40)51)19-10-30(47)52-17-19/h10,18,20-29,31-37,42-46,48,51H,4-9,11-17H2,1-3H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2C(=O)[O-])CC(O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(56-33-13-25(43)34(48)28(16-42)55-33)26(44)14-31(53-18)57-36-27(45)15-32(58-37(36)38(49)50)54-21-6-8-39(2)20(11-21)4-5-23-24(39)12-29(46)40(3)22(7-9-41(23,40)51)19-10-30(47)52-17-19/h10,18,20-29,31-37,42-46,48,51H,4-9,11-17H2,1-3H3,(H,49,50)/t18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:56][CH:33]2[CH2:13][CH:25]([OH:43])[CH:34]([OH:48])[CH:28]([CH2:16][OH:42])[O:55]2)[CH:26]([OH:44])[CH2:14][CH:31]([O:57][CH:36]2[CH:27]([OH:45])[CH2:15][CH:32]([O:54][CH:21]3[CH2:6][CH2:8][C:39]4([CH3:2])[CH:20]([CH2:4][CH2:5][CH:23]5[CH:24]4[CH2:12][CH:29]([OH:46])[C:40]4([CH3:3])[CH:22]([C:19]6=[CH:10][C:30](=[O:47])[O:52][CH2:17]6)[CH2:7][CH2:9][C:41]54[OH:51])[CH2:11]3)[O:58][CH:37]2[C:38](=[O:49])[OH:50])[O:53]1 |
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