| Properties | Image |
|---|
| MNX_ID | MNXM1178766 |
 |
| reference | envipathM:...f5217ff8e3b1 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | NBLLQUSKZJBSGB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-17-33(48)24(42)13-31(52-17)57-35-19(3)54-32(15-26(35)44)58-34-18(2)53-30(14-25(34)43)55-21-6-8-38(4)20(10-21)11-27(45)36-40(50)9-7-23(22-12-29(47)56-37(22)49)39(40,5)28(46)16-41(36,38)51/h17-28,30-36,42-46,48,50-51H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5(O)CC(O)C5(C)C(C6CC(=O)OC6=O)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-17-33(48)24(42)13-31(52-17)57-35-19(3)54-32(15-26(35)44)58-34-18(2)53-30(14-25(34)43)55-21-6-8-38(4)20(10-21)11-27(45)36-40(50)9-7-23(22-12-29(47)56-37(22)49)39(40,5)28(46)16-41(36,38)51/h17-28,30-36,42-46,48,50-51H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:33]([OH:48])[CH:24]([OH:42])[CH2:13][CH:31]([O:57][CH:35]2[CH:19]([CH3:3])[O:54][CH:32]([O:58][CH:34]3[CH:18]([CH3:2])[O:53][CH:30]([O:55][CH:21]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:20]([CH2:10]4)[CH2:11][CH:27]([OH:45])[CH:36]4[C:40]6([OH:50])[CH2:9][CH2:7][CH:23]([CH:22]7[CH2:12][C:29](=[O:47])[O:56][C:37]7=[O:49])[C:39]6([CH3:5])[CH:28]([OH:46])[CH2:16][C:41]45[OH:51])[CH2:14][CH:25]3[OH:43])[CH2:15][CH:26]2[OH:44])[O:52]1 |
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