| Properties | Image |
|---|
| MNX_ID | MNXM1175397 |
 |
| reference | envipathM:...72b2a5a5760c |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | UVPAQCPNAJKJEP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-34(58-31-13-25(45)35(18(2)54-31)59-32-11-23(43)33(49)27(16-42)56-32)24(44)12-30(53-17)55-20-7-8-38(3)19(9-20)5-6-21-22(38)10-28(47)39(4)36(26(46)14-41(21,39)52)40(51)15-29(48)57-37(40)50/h17-25,27-28,30-37,42-45,47,49-52H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5(O)CC(=O)OC5O)C(=O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-34(58-31-13-25(45)35(18(2)54-31)59-32-11-23(43)33(49)27(16-42)56-32)24(44)12-30(53-17)55-20-7-8-38(3)19(9-20)5-6-21-22(38)10-28(47)39(4)36(26(46)14-41(21,39)52)40(51)15-29(48)57-37(40)50/h17-25,27-28,30-37,42-45,47,49-52H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([O:58][CH:31]2[CH2:13][CH:25]([OH:45])[CH:35]([O:59][CH:32]3[CH2:11][CH:23]([OH:43])[CH:33]([OH:49])[CH:27]([CH2:16][OH:42])[O:56]3)[CH:18]([CH3:2])[O:54]2)[CH:24]([OH:44])[CH2:12][CH:30]([O:55][CH:20]2[CH2:7][CH2:8][C:38]3([CH3:3])[CH:19]([CH2:5][CH2:6][CH:21]4[CH:22]3[CH2:10][CH:28]([OH:47])[C:39]3([CH3:4])[CH:36]([C:40]5([OH:51])[CH2:15][C:29](=[O:48])[O:57][CH:37]5[OH:50])[C:26](=[O:46])[CH2:14][C:41]43[OH:52])[CH2:9]2)[O:53]1 |
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