| Properties | Image |
|---|
| MNX_ID | MNXM1195730 |
 |
| reference | envipathM:...52a63d112350 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | BCMBCYXAEKXLNC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-35(49)25(44)13-31(53-18)57-36-19(2)54-32(14-26(36)45)58-37-27(46)15-33(56-28(37)16-42)55-22-5-6-38(3)20(9-22)10-24(43)34-23(38)12-29(47)39(4)40(50,7-8-41(34,39)51)21-11-30(48)52-17-21/h18-28,31-37,42-46,49-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(=O)C5(C)C(O)(C6COC(=O)C6)CCC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-35(49)25(44)13-31(53-18)57-36-19(2)54-32(14-26(36)45)58-37-27(46)15-33(56-28(37)16-42)55-22-5-6-38(3)20(9-22)10-24(43)34-23(38)12-29(47)39(4)40(50,7-8-41(34,39)51)21-11-30(48)52-17-21/h18-28,31-37,42-46,49-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[CH:25]([OH:44])[CH2:13][CH:31]([O:57][CH:36]2[CH:19]([CH3:2])[O:54][CH:32]([O:58][CH:37]3[CH:27]([OH:46])[CH2:15][CH:33]([O:55][CH:22]4[CH2:5][CH2:6][C:38]5([CH3:3])[CH:20]([CH2:9]4)[CH2:10][CH:24]([OH:43])[CH:34]4[CH:23]5[CH2:12][C:29](=[O:47])[C:39]5([CH3:4])[C:40]([CH:21]6[CH2:11][C:30](=[O:48])[O:52][CH2:17]6)([OH:50])[CH2:7][CH2:8][C:41]45[OH:51])[O:56][CH:28]3[CH2:16][OH:42])[CH2:14][CH:26]2[OH:45])[O:53]1 |
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