| Properties | Image |
|---|
| MNX_ID | MNXM1189815 |
 |
| reference | envipathM:...07bb8c353731 |
| formula | C41H66O19 |
| global charge | 0 |
| mol weight | 862.96 |
| InChIKey | YGADBHLLGGPUCY-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O19/c1-18-31(48)22(42)10-29(55-18)59-33-20(3)57-30(12-24(33)44)60-32-19(2)56-28(11-23(32)43)58-21-6-7-35(4)37(49,13-21)14-25(45)34-39(51)8-9-41(53,38(50)16-27(47)54-17-38)36(39,5)26(46)15-40(34,35)52/h18-26,28-34,42-46,48-53H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(C4)CC(O)C4C5(O)CC(O)C5(C)C4(O)CCC5(O)C4(O)COC(=O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-18-31(48)22(42)10-29(55-18)59-33-20(3)57-30(12-24(33)44)60-32-19(2)56-28(11-23(32)43)58-21-6-7-35(4)37(49,13-21)14-25(45)34-39(51)8-9-41(53,38(50)16-27(47)54-17-38)36(39,5)26(46)15-40(34,35)52/h18-26,28-34,42-46,48-53H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:31]([OH:48])[CH:22]([OH:42])[CH2:10][CH:29]([O:59][CH:33]2[CH:20]([CH3:3])[O:57][CH:30]([O:60][CH:32]3[CH:19]([CH3:2])[O:56][CH:28]([O:58][CH:21]4[CH2:6][CH2:7][C:35]5([CH3:4])[C:37]([OH:49])([CH2:13]4)[CH2:14][CH:25]([OH:45])[CH:34]4[C:39]6([OH:51])[CH2:8][CH2:9][C:41]([C:38]7([OH:50])[CH2:16][C:27](=[O:47])[O:54][CH2:17]7)([OH:53])[C:36]6([CH3:5])[CH:26]([OH:46])[CH2:15][C:40]45[OH:52])[CH2:11][CH:23]3[OH:43])[CH2:12][CH:24]2[OH:44])[O:55]1 |
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