| Properties | Image |
|---|
| MNX_ID | MNXM1193843 |
 |
| reference | envipathM:...bda32dc1cf3d |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | PBDALXALYLYSMA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-36(49)25(43)12-33(52-18)57-38-27(45)14-34(55-29(38)16-42)56-37-19(2)53-32(13-26(37)44)54-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(47)40(4)35(20-9-31(48)51-17-20)28(46)15-41(23,40)50/h9,18-19,21-24,27-29,32-38,42,45-46,49-50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C5(C)C(C7=CC(=O)OC7)C(O)CC65O)C4)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-36(49)25(43)12-33(52-18)57-38-27(45)14-34(55-29(38)16-42)56-37-19(2)53-32(13-26(37)44)54-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(47)40(4)35(20-9-31(48)51-17-20)28(46)15-41(23,40)50/h9,18-19,21-24,27-29,32-38,42,45-46,49-50H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[C:25](=[O:43])[CH2:12][CH:33]([O:57][CH:38]2[CH:27]([OH:45])[CH2:14][CH:34]([O:56][CH:37]3[CH:19]([CH3:2])[O:53][CH:32]([O:54][CH:22]4[CH2:7][CH2:8][C:39]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:11][C:30](=[O:47])[C:40]5([CH3:4])[CH:35]([C:20]7=[CH:9][C:31](=[O:48])[O:51][CH2:17]7)[CH:28]([OH:46])[CH2:15][C:41]65[OH:50])[CH2:10]4)[CH2:13][C:26]3=[O:44])[O:55][CH:29]2[CH2:16][OH:42])[O:52]1 |
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