Neonaucleoside C
AlkaPlorer ID: AK318613
Synonym: None
IUPAC Name: (1S,3S,4R)-4-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)[C@H]([C@H]2C[C@@H]3C(=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3C=C)C(=O)O2)C2=C1NC1=CC=CC=C21
InChI: InChI=1S/C44H54N2O20/c1-4-16-19(21(39(57)59-3)14-60-41(16)65-43-36(53)34(51)32(49)26(12-47)63-43)10-24-30-28(18-8-6-7-9-23(18)45-30)29(31(46-24)38(55)56)25-11-20-17(5-2)42(61-15-22(20)40(58)62-25)66-44-37(54)35(52)33(50)27(13-48)64-44/h4-9,14-17,19-20,24-27,29,31-37,41-54H,1-2,10-13H2,3H3,(H,55,56)/t16-,17-,19+,20+,24+,25-,26-,27-,29-,31+,32-,33-,34+,35+,36-,37-,41+,42+,43+,44+/m1/s1
InChIKey: APXDLYAWLHQGTH-CQYFJNPOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos parvifolia | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Brachylaena discolor | Brachylaena | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Acritopappus confertus | Acritopappus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 930.9100000000004
TPSA？: 334.94
MolLogP？: -1.8221999999999885
Number of H-Donors: 11
Number of H-Acceptors: 20
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|