| Properties | Image |
|---|
| MNX_ID | MNXM1176359 |
 |
| reference | envipathM:...e1e6961042f0 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | RJBDTEMXWFDPCU-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-19-36(49)26(44)13-33(52-19)56-37-28(46)15-35(55-30(37)17-43)57-38-27(45)14-34(54-29(38)16-42)53-22-6-8-39(2)21(11-22)4-5-24-25(39)12-31(47)40(3)23(7-9-41(24,40)50)20-10-32(48)51-18-20/h10,16,19,21-25,28-31,33-38,43,46-47,49-50H,4-9,11-15,17-18H2,1-3H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C=O)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-19-36(49)26(44)13-33(52-19)56-37-28(46)15-35(55-30(37)17-43)57-38-27(45)14-34(54-29(38)16-42)53-22-6-8-39(2)21(11-22)4-5-24-25(39)12-31(47)40(3)23(7-9-41(24,40)50)20-10-32(48)51-18-20/h10,16,19,21-25,28-31,33-38,43,46-47,49-50H,4-9,11-15,17-18H2,1-3H3/t19?,21?,22?,23?,24?,25?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([OH:49])[C:26](=[O:44])[CH2:13][CH:33]([O:56][CH:37]2[CH:28]([OH:46])[CH2:15][CH:35]([O:57][CH:38]3[C:27](=[O:45])[CH2:14][CH:34]([O:53][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:2])[CH:21]([CH2:4][CH2:5][CH:24]6[CH:25]5[CH2:12][CH:31]([OH:47])[C:40]5([CH3:3])[CH:23]([C:20]7=[CH:10][C:32](=[O:48])[O:51][CH2:18]7)[CH2:7][CH2:9][C:41]65[OH:50])[CH2:11]4)[O:54][CH:29]3[CH:16]=[O:42])[O:55][CH:30]2[CH2:17][OH:43])[O:52]1 |
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