| Properties | Image |
|---|
| MNX_ID | MNXM1182805 |
 |
| reference | envipathM:...e0ca982282b8 |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | HNWOXWFTQLCLBB-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-18-37(57-34-15-29(47)38(19(2)54-34)58-35-13-27(45)36(51)30(17-43)56-35)28(46)14-33(53-18)55-21-5-7-39(3)23-12-31(48)40(4)22(20(16-42)9-32(49)50)6-8-41(40,52)24(23)11-26(44)25(39)10-21/h16,18-31,33-38,43-48,51-52H,5-15,17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C(C=O)CC(=O)[O-])CCC23O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-18-37(57-34-15-29(47)38(19(2)54-34)58-35-13-27(45)36(51)30(17-43)56-35)28(46)14-33(53-18)55-21-5-7-39(3)23-12-31(48)40(4)22(20(16-42)9-32(49)50)6-8-41(40,52)24(23)11-26(44)25(39)10-21/h16,18-31,33-38,43-48,51-52H,5-15,17H2,1-4H3,(H,49,50)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:57][CH:34]2[CH2:15][CH:29]([OH:47])[CH:38]([O:58][CH:35]3[CH2:13][CH:27]([OH:45])[CH:36]([OH:51])[CH:30]([CH2:17][OH:43])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:28]([OH:46])[CH2:14][CH:33]([O:55][CH:21]2[CH2:5][CH2:7][C:39]3([CH3:3])[CH:23]4[CH2:12][CH:31]([OH:48])[C:40]5([CH3:4])[CH:22]([CH:20]([CH2:9][C:32](=[O:49])[OH:50])[CH:16]=[O:42])[CH2:6][CH2:8][C:41]5([OH:52])[CH:24]4[CH2:11][CH:26]([OH:44])[CH:25]3[CH2:10]2)[O:53]1 |
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