| Properties | Image |
|---|
| MNX_ID | MNXM1178689 |
 |
| reference | envipathM:...0c2467c5162c |
| formula | C37H67NO15 |
| global charge | 0 |
| mol weight | 765.935 |
| InChIKey | IDJIVXQCWWQQDO-OHUWWCHOSA-N |
| InChI | InChI=1S/C37H67NO15/c1-18-13-37(47,38(10)11)16-26(49-18)52-31-20(3)28(51-25-15-35(8,48-12)30(43)23(6)50-25)21(4)33(44)53-32(22(5)40)36(9,46)29(42)19(2)27(41)24(17-39)14-34(31,7)45/h18-26,28-32,39-40,42-43,45-47H,13-17H2,1-12H3/t18-,19+,20+,21-,22?,23+,24+,25+,26+,28+,29-,30+,31-,32-,34-,35-,36+,37-/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3C[C@@](O)(N(C)C)C[C@@H](C)O3)[C@](C)(O)C[C@@H](CO)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C(C)O)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO15/c1-18-13-37(47,38(10)11)16-26(49-18)52-31-20(3)28(51-25-15-35(8,48-12)30(43)23(6)50-25)21(4)33(44)53-32(22(5)40)36(9,46)29(42)19(2)27(41)24(17-39)14-34(31,7)45/h18-26,28-32,39-40,42-43,45-47H,13-17H2,1-12H3/t18-,19+,20+,21-,22?,23+,24+,25+,26+,28+,29-,30+,31-,32-,34-,35-,36+,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:13][C@@:37]([N:38]([CH3:10])[CH3:11])([OH:47])[CH2:16][C@H:26]([O:52][C@@H:31]2[C@@H:20]([CH3:3])[C@H:28]([O:51][C@H:25]3[CH2:15][C@@:35]([CH3:8])([O:48][CH3:12])[C@@H:30]([OH:43])[C@H:23]([CH3:6])[O:50]3)[C@@H:21]([CH3:4])[C:33](=[O:44])[O:53][C@H:32]([CH:22]([CH3:5])[OH:40])[C@@:36]([CH3:9])([OH:46])[C@H:29]([OH:42])[C@@H:19]([CH3:2])[C:27](=[O:41])[C@H:24]([CH2:17][OH:39])[CH2:14][C@@:34]2([CH3:7])[OH:45])[O:49]1 |
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