| Properties | Image |
|---|
| MNX_ID | MNXM1189991 |
 |
| reference | envipathM:...4e7e54f04cf2 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | GMAKNJSYTACCCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-17-36(49)25(43)12-32(52-17)56-38-19(3)54-33(14-27(38)45)57-37-18(2)53-31(13-26(37)44)55-22-6-7-39(4)21(9-22)10-24(42)35-23(39)11-29(47)40(5)34(20-8-30(48)51-16-20)28(46)15-41(35,40)50/h8,17-19,21-28,31-35,37-38,42-46,50H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(=O)C5(C)C(C6=CC(=O)OC6)C(O)CC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-17-36(49)25(43)12-32(52-17)56-38-19(3)54-33(14-27(38)45)57-37-18(2)53-31(13-26(37)44)55-22-6-7-39(4)21(9-22)10-24(42)35-23(39)11-29(47)40(5)34(20-8-30(48)51-16-20)28(46)15-41(35,40)50/h8,17-19,21-28,31-35,37-38,42-46,50H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[C:36](=[O:49])[CH:25]([OH:43])[CH2:12][CH:32]([O:56][CH:38]2[CH:19]([CH3:3])[O:54][CH:33]([O:57][CH:37]3[CH:18]([CH3:2])[O:53][CH:31]([O:55][CH:22]4[CH2:6][CH2:7][C:39]5([CH3:4])[CH:21]([CH2:9]4)[CH2:10][CH:24]([OH:42])[CH:35]4[CH:23]5[CH2:11][C:29](=[O:47])[C:40]5([CH3:5])[CH:34]([C:20]6=[CH:8][C:30](=[O:48])[O:51][CH2:16]6)[CH:28]([OH:46])[CH2:15][C:41]45[OH:50])[CH2:13][CH:26]3[OH:44])[CH2:14][CH:27]2[OH:45])[O:52]1 |
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