| Properties | Image |
|---|
| MNX_ID | MNXM1138119 |
 |
| reference | envipathM:...94a274711e21 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | QTTOAVSKEKIOGW-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-19-37(56-35-13-26(44)36(49)29(16-42)54-35)27(45)14-33(52-19)57-38-28(46)15-34(55-30(38)17-43)53-22-6-8-39(2)21(11-22)4-5-24-25(39)12-31(47)40(3)23(7-9-41(24,40)50)20-10-32(48)51-18-20/h16,19-31,33-35,37-38,43-47,50H,4-15,17-18H2,1-3H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C6COC(=O)C6)CCC54O)C3)OC2CO)CC(O)C1OC1CC(O)C(=O)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-37(56-35-13-26(44)36(49)29(16-42)54-35)27(45)14-33(52-19)57-38-28(46)15-34(55-30(38)17-43)53-22-6-8-39(2)21(11-22)4-5-24-25(39)12-31(47)40(3)23(7-9-41(24,40)50)20-10-32(48)51-18-20/h16,19-31,33-35,37-38,43-47,50H,4-15,17-18H2,1-3H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,33?,34?,35?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:37]([O:56][CH:35]2[CH2:13][CH:26]([OH:44])[C:36](=[O:49])[CH:29]([CH:16]=[O:42])[O:54]2)[CH:27]([OH:45])[CH2:14][CH:33]([O:57][CH:38]2[CH:28]([OH:46])[CH2:15][CH:34]([O:53][CH:22]3[CH2:6][CH2:8][C:39]4([CH3:2])[CH:21]([CH2:4][CH2:5][CH:24]5[CH:25]4[CH2:12][CH:31]([OH:47])[C:40]4([CH3:3])[CH:23]([CH:20]6[CH2:10][C:32](=[O:48])[O:51][CH2:18]6)[CH2:7][CH2:9][C:41]54[OH:50])[CH2:11]3)[O:55][CH:30]2[CH2:17][OH:43])[O:52]1 |
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