| Properties | Image |
|---|
| MNX_ID | MNXM1173995 |
 |
| reference | envipathM:...7c0019737b01 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | QLCNDWBBBBOBHW-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-19-36(56-33-15-27(45)37(20(2)53-33)57-34-13-25(43)35(48)28(17-42)55-34)26(44)14-32(52-19)54-22-7-9-38(3)21(11-22)5-6-23-24(38)12-30(46)39(4)29(8-10-41(23,39)50)40(49)16-31(47)51-18-40/h19-25,27-30,32-34,36-37,42-43,45-46,49-50H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5(O)COC(=O)C5)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(=O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-36(56-33-15-27(45)37(20(2)53-33)57-34-13-25(43)35(48)28(17-42)55-34)26(44)14-32(52-19)54-22-7-9-38(3)21(11-22)5-6-23-24(38)12-30(46)39(4)29(8-10-41(23,39)50)40(49)16-31(47)51-18-40/h19-25,27-30,32-34,36-37,42-43,45-46,49-50H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:56][CH:33]2[CH2:15][CH:27]([OH:45])[CH:37]([O:57][CH:34]3[CH2:13][CH:25]([OH:43])[C:35](=[O:48])[CH:28]([CH2:17][OH:42])[O:55]3)[CH:20]([CH3:2])[O:53]2)[C:26](=[O:44])[CH2:14][CH:32]([O:54][CH:22]2[CH2:7][CH2:9][C:38]3([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]4[CH:24]3[CH2:12][CH:30]([OH:46])[C:39]3([CH3:4])[CH:29]([C:40]5([OH:49])[CH2:16][C:31](=[O:47])[O:51][CH2:18]5)[CH2:8][CH2:10][C:41]43[OH:50])[CH2:11]2)[O:52]1 |
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