| Properties | Image |
|---|
| MNX_ID | MNXM1138196 |
 |
| reference | envipathM:...0950eafa8d7e |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | GXSMQPNAUZWXEY-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-34(47)25(42)14-32(51-18)56-36-20(3)53-33(16-27(36)44)57-35-19(2)52-31(15-26(35)43)54-22-7-9-38(4)21(12-22)6-10-40(49)28(38)17-29(45)39(5)24(8-11-41(39,40)50)23-13-30(46)55-37(23)48/h13,18-22,24,27-29,31-33,35-37,44-45,48-50H,6-12,14-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C7=CC(=O)OC7O)CCC65O)C4)OC3C)OC2C)CC(=O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-34(47)25(42)14-32(51-18)56-36-20(3)53-33(16-27(36)44)57-35-19(2)52-31(15-26(35)43)54-22-7-9-38(4)21(12-22)6-10-40(49)28(38)17-29(45)39(5)24(8-11-41(39,40)50)23-13-30(46)55-37(23)48/h13,18-22,24,27-29,31-33,35-37,44-45,48-50H,6-12,14-17H2,1-5H3/t18?,19?,20?,21?,22?,24?,27?,28?,29?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:34](=[O:47])[C:25](=[O:42])[CH2:14][CH:32]([O:56][CH:36]2[CH:20]([CH3:3])[O:53][CH:33]([O:57][CH:35]3[CH:19]([CH3:2])[O:52][CH:31]([O:54][CH:22]4[CH2:7][CH2:9][C:38]5([CH3:4])[CH:21]([CH2:6][CH2:10][C:40]6([OH:49])[CH:28]5[CH2:17][CH:29]([OH:45])[C:39]5([CH3:5])[CH:24]([C:23]7=[CH:13][C:30](=[O:46])[O:55][CH:37]7[OH:48])[CH2:8][CH2:11][C:41]56[OH:50])[CH2:12]4)[CH2:15][C:26]3=[O:43])[CH2:16][CH:27]2[OH:44])[O:51]1 |
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