| Properties | Image |
|---|
| MNX_ID | MNXM1184933 |
 |
| reference | envipathM:...0184d5a318f6 |
| formula | C45H73NO17 |
| global charge | 0 |
| mol weight | 900.069 |
| InChIKey | MUZPZAYAMBTRNX-ZQVGKXGGSA-N |
| InChI | InChI=1S/C45H73NO17/c1-17-14-46-24(12-26(17)49)18(2)30-25(46)11-23-22-7-6-20-10-21(8-9-44(20,4)31(22)27(50)13-45(23,30)5)59-43-40(63-41-37(56)35(54)32(51)19(3)58-41)39(34(53)29(16-48)61-43)62-42-38(57)36(55)33(52)28(15-47)60-42/h6,17-19,21-43,47-57H,7-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
| SMILES | CC1CN2C(CC1O)C(C)C1C2CC2C3CC=C4CC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)CC[C@]4(C)C3C(O)C[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C45H73NO17/c1-17-14-46-24(12-26(17)49)18(2)30-25(46)11-23-22-7-6-20-10-21(8-9-44(20,4)31(22)27(50)13-45(23,30)5)59-43-40(63-41-37(56)35(54)32(51)19(3)58-41)39(34(53)29(16-48)61-43)62-42-38(57)36(55)33(52)28(15-47)60-42/h6,17-19,21-43,47-57H,7-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH2:14][N:46]2[CH:24]([CH2:12][CH:26]1[OH:49])[CH:18]([CH3:2])[CH:30]1[CH:25]2[CH2:11][CH:23]2[CH:22]3[CH2:7][CH:6]=[C:20]4[CH2:10][CH:21]([O:59][CH:43]5[CH:40]([O:63][CH:41]6[CH:37]([OH:56])[CH:35]([OH:54])[CH:32]([OH:51])[CH:19]([CH3:3])[O:58]6)[CH:39]([O:62][CH:42]6[CH:38]([OH:57])[CH:36]([OH:55])[CH:33]([OH:52])[CH:28]([CH2:15][OH:47])[O:60]6)[CH:34]([OH:53])[CH:29]([CH2:16][OH:48])[O:61]5)[CH2:8][CH2:9][C@:44]4([CH3:4])[CH:31]3[CH:27]([OH:50])[CH2:13][C@@:45]21[CH3:5] |
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