| Properties | Image |
|---|
| MNX_ID | MNXM683046 |
 |
| reference | metacycM:CPD-19058 |
| formula | C28H46O15 |
| global charge | 0 |
| mol weight | 622.661 |
| InChIKey | AKWKWIHXNGCVIN-GWPJAQCUSA-N |
| InChI | InChI=1S/C28H46O15/c1-13(2)8-19(33)39-22-18(11-30)38-27(24(37-16(7)32)23(22)41-26(36)15(5)6)43-28(12-31)25(21(35)17(10-29)42-28)40-20(34)9-14(3)4/h13-15,17-18,21-25,27,29-31,35H,8-12H2,1-7H3/t17-,18-,21-,22-,23+,24-,25+,27-,28+/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@H](CO)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O15/c1-13(2)8-19(33)39-22-18(11-30)38-27(24(37-16(7)32)23(22)41-26(36)15(5)6)43-28(12-31)25(21(35)17(10-29)42-28)40-20(34)9-14(3)4/h13-15,17-18,21-25,27,29-31,35H,8-12H2,1-7H3/t17-,18-,21-,22-,23+,24-,25+,27-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:8][C:19](=[O:33])[O:39][C@@H:22]1[C@@H:18]([CH2:11][OH:30])[O:38][C@H:27]([O:43][C@@:28]2([CH2:12][OH:31])[C@@H:25]([O:40][C:20]([CH2:9][CH:14]([CH3:3])[CH3:4])=[O:34])[C@H:21]([OH:35])[C@@H:17]([CH2:10][OH:29])[O:42]2)[C@H:24]([O:37][C:16]([CH3:7])=[O:32])[C@H:23]1[O:41][C:26]([CH:15]([CH3:5])[CH3:6])=[O:36] |
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