| Properties | Image |
|---|
| MNX_ID | MNXM1197909 |
 |
| reference | envipathM:...5296d6910bc3 |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | NEPFYSFCLINZJW-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-18-35(58-32-14-26(46)36(19(2)55-32)59-33-12-24(44)34(49)27(16-42)57-33)25(45)13-31(54-18)56-21-5-6-37(3)22(10-21)23(43)11-28-40(51)8-7-39(50,20-9-30(48)53-17-20)38(40,4)29(47)15-41(28,37)52/h18-29,31-36,42-47,49-52H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3(O)CC(O)C3(C)C(O)(C4COC(=O)C4)CCC23O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-35(58-32-14-26(46)36(19(2)55-32)59-33-12-24(44)34(49)27(16-42)57-33)25(45)13-31(54-18)56-21-5-6-37(3)22(10-21)23(43)11-28-40(51)8-7-39(50,20-9-30(48)53-17-20)38(40,4)29(47)15-41(28,37)52/h18-29,31-36,42-47,49-52H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:32]2[CH2:14][CH:26]([OH:46])[CH:36]([O:59][CH:33]3[CH2:12][CH:24]([OH:44])[CH:34]([OH:49])[CH:27]([CH2:16][OH:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:25]([OH:45])[CH2:13][CH:31]([O:56][CH:21]2[CH2:5][CH2:6][C:37]3([CH3:3])[CH:22]([CH2:10]2)[CH:23]([OH:43])[CH2:11][CH:28]2[C:40]4([OH:51])[CH2:8][CH2:7][C:39]([CH:20]5[CH2:9][C:30](=[O:48])[O:53][CH2:17]5)([OH:50])[C:38]4([CH3:4])[CH:29]([OH:47])[CH2:15][C:41]23[OH:52])[O:54]1 |
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