| Properties | Image |
|---|
| MNX_ID | MNXM1179209 |
 |
| reference | envipathM:...289e3204535a |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | RLZWNUIXUXGDDU-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-19-27(44)12-25-24(41(19,51)10-7-26(43)22-11-32(48)52-18-22)6-9-40(50)16-23(5-8-39(25,40)4)55-33-14-29(46)37(21(3)54-33)57-35-15-30(47)38(31(17-42)56-35)58-34-13-28(45)36(49)20(2)53-34/h11,19-21,23-25,28-31,33-38,42,45-47,49-51H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C(C)C(O)(CCC(=O)C7=CC(=O)OC7)C6CCC5(O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-27(44)12-25-24(41(19,51)10-7-26(43)22-11-32(48)52-18-22)6-9-40(50)16-23(5-8-39(25,40)4)55-33-14-29(46)37(21(3)54-33)57-35-15-30(47)38(31(17-42)56-35)58-34-13-28(45)36(49)20(2)53-34/h11,19-21,23-25,28-31,33-38,42,45-47,49-51H,5-10,12-18H2,1-4H3/t19?,20?,21?,23?,24?,25?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[C:27](=[O:44])[CH2:12][CH:25]2[CH:24]([CH2:6][CH2:9][C:40]3([OH:50])[CH2:16][CH:23]([O:55][CH:33]4[CH2:14][CH:29]([OH:46])[CH:37]([O:57][CH:35]5[CH2:15][CH:30]([OH:47])[CH:38]([O:58][CH:34]6[CH2:13][CH:28]([OH:45])[CH:36]([OH:49])[CH:20]([CH3:2])[O:53]6)[CH:31]([CH2:17][OH:42])[O:56]5)[CH:21]([CH3:3])[O:54]4)[CH2:5][CH2:8][C:39]23[CH3:4])[C:41]1([CH2:10][CH2:7][C:26]([C:22]1=[CH:11][C:32](=[O:48])[O:52][CH2:18]1)=[O:43])[OH:51] |
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