| Properties | Image |
|---|
| MNX_ID | MNXM1170660 |
 |
| reference | envipathM:...9277714f6f38 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | SZSFYOBBNTZHCX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-16-32(47)22(42)12-29(53-16)57-35-18(3)55-30(14-24(35)44)58-34-17(2)54-28(13-23(34)43)56-20-10-19-6-7-25-40(51)9-8-21(31-33(48)37(50)59-36(31)49)39(40,5)27(46)15-41(25,52)38(19,4)26(45)11-20/h16-35,42-48,51-52H,6-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5(O)CC(O)C5(C)C(C7C(=O)OC(=O)C7O)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-16-32(47)22(42)12-29(53-16)57-35-18(3)55-30(14-24(35)44)58-34-17(2)54-28(13-23(34)43)56-20-10-19-6-7-25-40(51)9-8-21(31-33(48)37(50)59-36(31)49)39(40,5)27(46)15-41(25,52)38(19,4)26(45)11-20/h16-35,42-48,51-52H,6-15H2,1-5H3/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:32]([OH:47])[CH:22]([OH:42])[CH2:12][CH:29]([O:57][CH:35]2[CH:18]([CH3:3])[O:55][CH:30]([O:58][CH:34]3[CH:17]([CH3:2])[O:54][CH:28]([O:56][CH:20]4[CH2:10][CH:19]5[CH2:6][CH2:7][CH:25]6[C:40]7([OH:51])[CH2:9][CH2:8][CH:21]([CH:31]8[CH:33]([OH:48])[C:37](=[O:50])[O:59][C:36]8=[O:49])[C:39]7([CH3:5])[CH:27]([OH:46])[CH2:15][C:41]6([OH:52])[C:38]5([CH3:4])[CH:26]([OH:45])[CH2:11]4)[CH2:13][CH:23]3[OH:43])[CH2:14][CH:24]2[OH:44])[O:53]1 |
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