| Properties | Image |
|---|
| MNX_ID | MNXM1170124 |
 |
| reference | envipathM:...1e25e256edf8 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | OYWHPGWQOVLYFQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-16-35(49)25(43)12-32(52-16)57-37-18(3)54-33(14-27(37)45)58-36-17(2)53-31(13-26(36)44)55-19-6-7-39(4)21-11-29(47)40(5)34(20-9-30(48)56-38(20)50)28(46)15-41(40,51)22(21)10-24(42)23(39)8-19/h9,16-19,21-25,28-29,31-38,42-43,46-47,49-51H,6-8,10-15H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C4=CC(=O)OC4O)C(O)CC23O)CC(=O)C1OC1CC(=O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-16-35(49)25(43)12-32(52-16)57-37-18(3)54-33(14-27(37)45)58-36-17(2)53-31(13-26(36)44)55-19-6-7-39(4)21-11-29(47)40(5)34(20-9-30(48)56-38(20)50)28(46)15-41(40,51)22(21)10-24(42)23(39)8-19/h9,16-19,21-25,28-29,31-38,42-43,46-47,49-51H,6-8,10-15H2,1-5H3/t16?,17?,18?,19?,21?,22?,23?,24?,25?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:16]1[CH:35]([OH:49])[CH:25]([OH:43])[CH2:12][CH:32]([O:57][CH:37]2[CH:18]([CH3:3])[O:54][CH:33]([O:58][CH:36]3[CH:17]([CH3:2])[O:53][CH:31]([O:55][CH:19]4[CH2:6][CH2:7][C:39]5([CH3:4])[CH:21]6[CH2:11][CH:29]([OH:47])[C:40]7([CH3:5])[CH:34]([C:20]8=[CH:9][C:30](=[O:48])[O:56][CH:38]8[OH:50])[CH:28]([OH:46])[CH2:15][C:41]7([OH:51])[CH:22]6[CH2:10][CH:24]([OH:42])[CH:23]5[CH2:8]4)[CH2:13][C:26]3=[O:44])[CH2:14][C:27]2=[O:45])[O:52]1 |
|