Chinese bittersweet alkaloid B
AlkaPlorer ID: AK010097
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(O[C@H]1[C@H]([C@@H]2OC(C)=O)OC(C)=O)[C@H](C)[C@H](C)C3=NC=CC=C3C(OC[C@]4(C)O[C@@]5([C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]52COCC(C)C)[C@@]1(C)O)=O
InChI: InChI=1S/C40H53NO17/c1-18(2)15-50-17-39-33(55-24(8)45)29(52-21(5)42)27-31(54-23(7)44)40(39)38(11,49)32(30(53-22(6)43)34(39)56-25(9)46)57-35(47)20(4)19(3)28-26(13-12-14-41-28)36(48)51-16-37(27,10)58-40/h12-14,18-20,27,29-34,49H,15-17H2,1-11H3/t19-,20+,27+,29+,30+,31+,32-,33+,34-,37-,38-,39+,40-/m0/s1
InChIKey: ZMDATTFGIFQRRD-HAFOVOGGSA-N
Reference
Two new sesquiterpene pyridine alkaloids from root barks of Celastrus angulatus
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celastrus angulatus | Celastrus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 819.8540000000002
TPSA？: 235.67999999999995
MolLogP？: 2.143000000000004
Number of H-Donors: 1
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|