wilfordinine B
AlkaPlorer ID: AK001797
Synonym: '', 'Wilfordinine B'
IUPAC Name: [(1S,3R,13R,14S,17R,18R,19R,20R,21S,22S,23R,24S,25R)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CN=CC=C1[C@@H](C)[C@](C)(O)C(=O)O[C@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O
InChI: InChI=1S/C38H47NO19/c1-16-23-11-12-39-13-24(23)32(46)51-14-34(8)25-26(52-18(3)41)30(55-21(6)44)37(15-50-17(2)40)31(56-22(7)45)27(53-19(4)42)29(57-33(47)35(16,9)48)36(10,49)38(37,58-34)28(25)54-20(5)43/h11-13,16,25-31,48-49H,14-15H2,1-10H3/t16-,25-,26+,27+,28+,29-,30-,31+,34+,35+,36-,37-,38+/m1/s1
InChIKey: GGYHKBFLZJPIPM-PBAFHSGZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium wilfordii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 821.7820000000004
TPSA？: 272.98
MolLogP？: 0.1484000000000063
Number of H-Donors: 2
Number of H-Acceptors: 20
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|