| Properties | Image |
|---|
| MNX_ID | MNXM1195218 |
 |
| reference | envipathM:...8204522a42f1 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | XYNBNPQQLGOLAA-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-35(57-33-16-28(44)36(20(2)53-33)58-34-17-29(45)37(49)55-21(3)54-34)27(43)15-32(52-19)56-24-8-9-38(4)22(12-24)6-7-25-26(38)14-30(46)39(5)40(50,10-11-41(25,39)51)23(18-42)13-31(47)48/h13,19-22,24-26,28-30,32-36,42,44-46,50-51H,6-12,14-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(=O)C(O)CC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(O)(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-35(57-33-16-28(44)36(20(2)53-33)58-34-17-29(45)37(49)55-21(3)54-34)27(43)15-32(52-19)56-24-8-9-38(4)22(12-24)6-7-25-26(38)14-30(46)39(5)40(50,10-11-41(25,39)51)23(18-42)13-31(47)48/h13,19-22,24-26,28-30,32-36,42,44-46,50-51H,6-12,14-18H2,1-5H3,(H,47,48)/b23-13?/t19?,20?,21?,22?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([O:57][CH:33]2[CH2:16][CH:28]([OH:44])[CH:36]([O:58][CH:34]3[CH2:17][CH:29]([OH:45])[C:37](=[O:49])[O:55][CH:21]([CH3:3])[O:54]3)[CH:20]([CH3:2])[O:53]2)[C:27](=[O:43])[CH2:15][CH:32]([O:56][CH:24]2[CH2:8][CH2:9][C:38]3([CH3:4])[CH:22]([CH2:6][CH2:7][CH:25]4[CH:26]3[CH2:14][CH:30]([OH:46])[C:39]3([CH3:5])[C:40]([C:23](=[CH:13][C:31](=[O:47])[OH:48])[CH2:18][OH:42])([OH:50])[CH2:10][CH2:11][C:41]43[OH:51])[CH2:12]2)[O:52]1 |
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