| Properties | Image |
|---|
| MNX_ID | MNXM1188511 |
 |
| reference | envipathM:...0717789ffb62 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | ZLAZXAVZVSYKQO-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-37(49)29(44)14-35(52-18)56-39-20(3)54-36(16-31(39)46)57-38-19(2)53-34(15-30(38)45)55-22-8-9-40(4)25-13-32(47)41(5,50)24(21-10-33(48)51-17-21)6-7-27(42)23(25)12-28(43)26(40)11-22/h10,18-20,22-26,28-31,34-39,43-46,49-50H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C(=O)CCC(C6=CC(=O)OC6)C(C)(O)C(=O)CC45)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-37(49)29(44)14-35(52-18)56-39-20(3)54-36(16-31(39)46)57-38-19(2)53-34(15-30(38)45)55-22-8-9-40(4)25-13-32(47)41(5,50)24(21-10-33(48)51-17-21)6-7-27(42)23(25)12-28(43)26(40)11-22/h10,18-20,22-26,28-31,34-39,43-46,49-50H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,28?,29?,30?,31?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([OH:49])[CH:29]([OH:44])[CH2:14][CH:35]([O:56][CH:39]2[CH:20]([CH3:3])[O:54][CH:36]([O:57][CH:38]3[CH:19]([CH3:2])[O:53][CH:34]([O:55][CH:22]4[CH2:8][CH2:9][C:40]5([CH3:4])[CH:25]6[CH2:13][C:32](=[O:47])[C:41]([CH3:5])([OH:50])[CH:24]([C:21]7=[CH:10][C:33](=[O:48])[O:51][CH2:17]7)[CH2:6][CH2:7][C:27](=[O:42])[CH:23]6[CH2:12][CH:28]([OH:43])[CH:26]5[CH2:11]4)[CH2:15][CH:30]3[OH:45])[CH2:16][CH:31]2[OH:46])[O:52]1 |
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