| Properties | Image |
|---|
| MNX_ID | MNXM1173904 |
 |
| reference | envipathM:...364c21d71491 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | MADVBIOJIMKKAR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-36(57-33-14-27(45)37(19(2)54-33)58-34-12-25(43)35(49)28(16-42)56-34)26(44)13-32(53-18)55-21-5-7-38(3)23-10-29(46)39(4)22(20-9-31(48)52-17-20)6-8-40(39,50)24(23)11-30(47)41(38,51)15-21/h18-29,32-37,42-46,49-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C6COC(=O)C6)CCC5(O)C4CC(=O)C3(O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-36(57-33-14-27(45)37(19(2)54-33)58-34-12-25(43)35(49)28(16-42)56-34)26(44)13-32(53-18)55-21-5-7-38(3)23-10-29(46)39(4)22(20-9-31(48)52-17-20)6-8-40(39,50)24(23)11-30(47)41(38,51)15-21/h18-29,32-37,42-46,49-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:33]2[CH2:14][CH:27]([OH:45])[CH:37]([O:58][CH:34]3[CH2:12][CH:25]([OH:43])[CH:35]([OH:49])[CH:28]([CH2:16][OH:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:26]([OH:44])[CH2:13][CH:32]([O:55][CH:21]2[CH2:5][CH2:7][C:38]3([CH3:3])[CH:23]4[CH2:10][CH:29]([OH:46])[C:39]5([CH3:4])[CH:22]([CH:20]6[CH2:9][C:31](=[O:48])[O:52][CH2:17]6)[CH2:6][CH2:8][C:40]5([OH:50])[CH:24]4[CH2:11][C:30](=[O:47])[C:41]3([OH:51])[CH2:15]2)[O:53]1 |
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