| Properties | Image |
|---|
| MNX_ID | MNXM1180165 |
 |
| reference | envipathM:...79832857e4bc |
| formula | C41H66O19 |
| global charge | 0 |
| mol weight | 862.96 |
| InChIKey | YHQPFNDYHGOBLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O19/c1-17-34(59-31-13-23(45)35(18(2)55-31)60-32-11-21(43)33(49)24(16-42)57-32)22(44)12-30(54-17)56-20-9-19-5-6-26-40(52)8-7-25(39(51)15-29(48)58-36(39)50)38(40,4)28(47)14-41(26,53)37(19,3)27(46)10-20/h17-28,30-36,42-47,49-53H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3(O)CC(O)C3(C)C(C5(O)CC(=O)OC5O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-17-34(59-31-13-23(45)35(18(2)55-31)60-32-11-21(43)33(49)24(16-42)57-32)22(44)12-30(54-17)56-20-9-19-5-6-26-40(52)8-7-25(39(51)15-29(48)58-36(39)50)38(40,4)28(47)14-41(26,53)37(19,3)27(46)10-20/h17-28,30-36,42-47,49-53H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,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:59][CH:31]2[CH2:13][CH:23]([OH:45])[CH:35]([O:60][CH:32]3[CH2:11][CH:21]([OH:43])[CH:33]([OH:49])[CH:24]([CH2:16][OH:42])[O:57]3)[CH:18]([CH3:2])[O:55]2)[CH:22]([OH:44])[CH2:12][CH:30]([O:56][CH:20]2[CH2:9][CH:19]3[CH2:5][CH2:6][CH:26]4[C:40]5([OH:52])[CH2:8][CH2:7][CH:25]([C:39]6([OH:51])[CH2:15][C:29](=[O:48])[O:58][CH:36]6[OH:50])[C:38]5([CH3:4])[CH:28]([OH:47])[CH2:14][C:41]4([OH:53])[C:37]3([CH3:3])[CH:27]([OH:46])[CH2:10]2)[O:54]1 |
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