| Properties | Image |
|---|
| MNX_ID | MNXM1210575 |
 |
| reference | envipathM:...bed96b14eedd |
| formula | C41H66O17 |
| global charge | 0 |
| mol weight | 830.962 |
| InChIKey | KPEYFZOKPCSNLD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O17/c1-17-34(48)26(43)14-32(52-17)57-36-19(3)54-33(16-28(36)45)58-35-18(2)53-31(15-27(35)44)55-20-6-7-38(4)21-12-29(46)39(5)40(50,22(21)11-25(42)23(38)10-20)8-9-41(39,51)24-13-30(47)56-37(24)49/h17-29,31-37,42-46,48-51H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(O)(C6CC(=O)OC6O)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-17-34(48)26(43)14-32(52-17)57-36-19(3)54-33(16-28(36)45)58-35-18(2)53-31(15-27(35)44)55-20-6-7-38(4)21-12-29(46)39(5)40(50,22(21)11-25(42)23(38)10-20)8-9-41(39,51)24-13-30(47)56-37(24)49/h17-29,31-37,42-46,48-51H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,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:34]([OH:48])[CH:26]([OH:43])[CH2:14][CH:32]([O:57][CH:36]2[CH:19]([CH3:3])[O:54][CH:33]([O:58][CH:35]3[CH:18]([CH3:2])[O:53][CH:31]([O:55][CH:20]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:21]6[CH2:12][CH:29]([OH:46])[C:39]7([CH3:5])[C:40]([OH:50])([CH2:8][CH2:9][C:41]7([CH:24]7[CH2:13][C:30](=[O:47])[O:56][CH:37]7[OH:49])[OH:51])[CH:22]6[CH2:11][CH:25]([OH:42])[CH:23]5[CH2:10]4)[CH2:15][CH:27]3[OH:44])[CH2:16][CH:28]2[OH:45])[O:52]1 |
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