| Properties | Image |
|---|
| MNX_ID | MNXM1173349 |
 |
| reference | envipathM:...0b19bb5a2a81 |
| formula | C41H67O19 |
| global charge | -1 |
| mol weight | 863.968 |
| InChIKey | XNDAMQWMTIIZOV-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H68O19/c1-18-35(59-32-13-25(46)36(19(2)56-32)60-33-11-23(44)34(51)26(16-42)58-33)24(45)12-31(55-18)57-20-5-7-37(3)21-9-28(47)38(4)27(39(52,17-43)15-30(49)50)6-8-40(38,53)22(21)10-29(48)41(37,54)14-20/h18-29,31-36,42-48,51-54H,5-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C(O)(CO)CC(=O)[O-])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/C41H68O19/c1-18-35(59-32-13-25(46)36(19(2)56-32)60-33-11-23(44)34(51)26(16-42)58-33)24(45)12-31(55-18)57-20-5-7-37(3)21-9-28(47)38(4)27(39(52,17-43)15-30(49)50)6-8-40(38,53)22(21)10-29(48)41(37,54)14-20/h18-29,31-36,42-48,51-54H,5-17H2,1-4H3,(H,49,50)/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:59][CH:32]2[CH2:13][CH:25]([OH:46])[CH:36]([O:60][CH:33]3[CH2:11][CH:23]([OH:44])[CH:34]([OH:51])[CH:26]([CH2:16][OH:42])[O:58]3)[CH:19]([CH3:2])[O:56]2)[CH:24]([OH:45])[CH2:12][CH:31]([O:57][CH:20]2[CH2:5][CH2:7][C:37]3([CH3:3])[CH:21]4[CH2:9][CH:28]([OH:47])[C:38]5([CH3:4])[CH:27]([C:39]([CH2:15][C:30](=[O:49])[OH:50])([CH2:17][OH:43])[OH:52])[CH2:6][CH2:8][C:40]5([OH:53])[CH:22]4[CH2:10][CH:29]([OH:48])[C:41]3([OH:54])[CH2:14]2)[O:55]1 |
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