General Characteristics
| NatID | 1768 |
| Common Name | NatID_1768 |
| Molecular Formula | C39H50O23 |
| Chemical Class | Flavonoids > Flavonoid glycosides |
| Molecular Weight | 886.274 g/mol |
| Other names | 123479-26-5 |
Representations
| Smiles | CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(COC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O |
| Inchi | InChI=1S/C39H50O23/c1-11-21(42)25(46)29(50)37(55-11)58-16-8-17(41)20-18(9-16)59-34(14-4-6-15(40)7-5-14)35(24(20)45)62-39-31(52)27(48)23(44)19(60-39)10-54-36-32(53)28(49)33(13(3)57-36)61-38-30(51)26(47)22(43)12(2)56-38/h4-9,11-13,19,21-23,25-33,36-44,46-53H,10H2,1-3H3 |
| Inchi Key | MFMPPIGSYYTBKG-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | -4.04 |
| TPSA | 367.04 |
| HBD | 13 |
| HBA | 23 |
| Rotatable Bonds | 10 |
| Aromatic Rings | 3 |
| Heavy Atoms | 62 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 23 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10493 | Vigna luteola | No | Low | Pomilio, A. B., & Zallocchi, E. M. (1989). Two New Kaempferol Isorhamninosides from Vigna luteola. Journal of Natural Products, 52(3), 511–515. https://doi.org/10.1021/np50063a008 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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