3,12,14-Trihydroxypregn-5-en-20-one; (3β,12β,14β)-form, 12-O-(2-Aminobenzoyl), 3-O-[6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-cymaropyranoside]
AlkaPlorer ID: AK316660
Synonym: None
IUPAC Name: None
Structure
SMILES: COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(=O)C3=CC=CC=C3N)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1
InChI: InChI=1S/C56H85NO18/c1-27(58)35-19-21-56(62)36-17-16-32-22-33(18-20-54(32,6)37(36)23-42(55(35,56)7)72-52(61)34-14-12-13-15-38(34)57)71-43-24-39(63-8)48(29(3)67-43)73-44-25-40(64-9)49(30(4)68-44)74-45-26-41(65-10)50(31(5)69-45)75-53-47(60)51(66-11)46(59)28(2)70-53/h12-16,28-31,33,35-37,39-51,53,59-60,62H,17-26,57H2,1-11H3
InChIKey: AENCHPKDAKPUIJ-UHFFFAOYSA-N
Reference
CAS: 1338724-76-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceropegia fusca | Ceropegia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1060.2850000000003
TPSA？: 240.83999999999992
MolLogP？: 5.159100000000011
Number of H-Donors: 4
Number of H-Acceptors: 19
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|