1. Primary Information
| English name: | Ligupurpuroside D |
| CAS No.: | 1194056-35-3 |
| Molecular formula: | C35H46O18 |
| Molecular weight: | 754.7 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3O)OCCC4=CC=C(C=C4)O)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)C)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥95% | 2800 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C35H46O18/c1-15-24(40)26(42)28(44)34(49-15)52-31-16(2)50-35(29(45)27(31)43)53-32-25(41)22(14-48-23(39)10-6-18-5-9-20(37)21(38)13-18)51-33(30(32)46)47-12-11-17-3-7-19(36)8-4-17/h3-10,13,15-16,22,24-38,40-46H,11-12,14H2,1-2H3/b10-6+/t15-,16-,22+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,34-,35-/m0/s1
4.3 InChIKey
ZFHXYODOBLFJFA-OJTSUPNQSA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3O)OCCC4=CC=C(C=C4)O)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)C)O)O)O
4.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O)OCCC4=CC=C(C=C4)O)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)C)O)O)O
