| Properties | Image |
|---|
| MNX_ID | MNXM1194525 |
 |
| reference | envipathM:...6d4a1bf4c5df |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | AOFDWZBTHWIBAT-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-36(57-33-15-28(45)37(19(2)53-33)58-34-16-29(46)38(50)55-20(3)54-34)27(44)14-32(52-18)56-23-6-8-39(4)22(11-23)12-26(43)35-25(39)13-30(47)40(5)24(7-9-41(35,40)51)21(17-42)10-31(48)49/h10,18-20,22-26,28-30,32-37,42-43,45-47,51H,6-9,11-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(=O)C(O)CC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3C)OC2C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(57-33-15-28(45)37(19(2)53-33)58-34-16-29(46)38(50)55-20(3)54-34)27(44)14-32(52-18)56-23-6-8-39(4)22(11-23)12-26(43)35-25(39)13-30(47)40(5)24(7-9-41(35,40)51)21(17-42)10-31(48)49/h10,18-20,22-26,28-30,32-37,42-43,45-47,51H,6-9,11-17H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:33]2[CH2:15][CH:28]([OH:45])[CH:37]([O:58][CH:34]3[CH2:16][CH:29]([OH:46])[C:38](=[O:50])[O:55][CH:20]([CH3:3])[O:54]3)[CH:19]([CH3:2])[O:53]2)[C:27](=[O:44])[CH2:14][CH:32]([O:56][CH:23]2[CH2:6][CH2:8][C:39]3([CH3:4])[CH:22]([CH2:11]2)[CH2:12][CH:26]([OH:43])[CH:35]2[CH:25]3[CH2:13][CH:30]([OH:47])[C:40]3([CH3:5])[CH:24]([C:21](=[CH:10][C:31](=[O:48])[OH:49])[CH2:17][OH:42])[CH2:7][CH2:9][C:41]23[OH:51])[O:52]1 |
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