| Properties | Image |
|---|
| MNX_ID | MNXM1194790 |
 |
| reference | envipathM:...eb8f42cfb436 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | UNBCPAADPSWXIZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)24(43)12-32(52-17)58-37-26(45)14-33(55-28(37)16-42)57-36-18(2)53-31(13-25(36)44)54-20-7-8-39(3)19(9-20)5-6-22-23(39)11-29(47)40(4)34(27(46)15-41(22,40)51)21-10-30(48)56-38(21)50/h10,17-20,22-23,26-29,31-38,42,45-47,49-51H,5-9,11-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7O)C(O)CC65O)C4)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)24(43)12-32(52-17)58-37-26(45)14-33(55-28(37)16-42)57-36-18(2)53-31(13-25(36)44)54-20-7-8-39(3)19(9-20)5-6-22-23(39)11-29(47)40(4)34(27(46)15-41(22,40)51)21-10-30(48)56-38(21)50/h10,17-20,22-23,26-29,31-38,42,45-47,49-51H,5-9,11-16H2,1-4H3/t17?,18?,19?,20?,22?,23?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[C:24](=[O:43])[CH2:12][CH:32]([O:58][CH:37]2[CH:26]([OH:45])[CH2:14][CH:33]([O:57][CH:36]3[CH:18]([CH3:2])[O:53][CH:31]([O:54][CH:20]4[CH2:7][CH2:8][C:39]5([CH3:3])[CH:19]([CH2:5][CH2:6][CH:22]6[CH:23]5[CH2:11][CH:29]([OH:47])[C:40]5([CH3:4])[CH:34]([C:21]7=[CH:10][C:30](=[O:48])[O:56][CH:38]7[OH:50])[CH:27]([OH:46])[CH2:15][C:41]65[OH:51])[CH2:9]4)[CH2:13][C:25]3=[O:44])[O:55][CH:28]2[CH2:16][OH:42])[O:52]1 |
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