| Properties | Image |
|---|
| MNX_ID | MNXM1174385 |
 |
| reference | envipathM:...89a836e6bfc6 |
| formula | C41H66O19 |
| global charge | 0 |
| mol weight | 862.96 |
| InChIKey | RVRJNSSEINNHCB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O19/c1-16-32(49)21(42)9-30(54-16)59-34-18(3)56-31(11-23(34)44)60-33-17(2)55-29(10-22(33)43)57-19-6-7-37(4)20(8-19)24(45)13-40(52)26(37)12-27(47)38(5)35(25(46)14-41(38,40)53)39(51)15-28(48)58-36(39)50/h16-27,29-36,42-47,49-53H,6-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4(O)C5CC(O)C5(C)C(C6(O)CC(=O)OC6O)C(O)CC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-16-32(49)21(42)9-30(54-16)59-34-18(3)56-31(11-23(34)44)60-33-17(2)55-29(10-22(33)43)57-19-6-7-37(4)20(8-19)24(45)13-40(52)26(37)12-27(47)38(5)35(25(46)14-41(38,40)53)39(51)15-28(48)58-36(39)50/h16-27,29-36,42-47,49-53H,6-15H2,1-5H3/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:32]([OH:49])[CH:21]([OH:42])[CH2:9][CH:30]([O:59][CH:34]2[CH:18]([CH3:3])[O:56][CH:31]([O:60][CH:33]3[CH:17]([CH3:2])[O:55][CH:29]([O:57][CH:19]4[CH2:6][CH2:7][C:37]5([CH3:4])[CH:20]([CH2:8]4)[CH:24]([OH:45])[CH2:13][C:40]4([OH:52])[CH:26]5[CH2:12][CH:27]([OH:47])[C:38]5([CH3:5])[CH:35]([C:39]6([OH:51])[CH2:15][C:28](=[O:48])[O:58][CH:36]6[OH:50])[CH:25]([OH:46])[CH2:14][C:41]54[OH:53])[CH2:10][CH:22]3[OH:43])[CH2:11][CH:23]2[OH:44])[O:54]1 |
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