25-Amino-3,23-dihydroxystigmast-5-ene-7,22-dione; (3β,23R,24S)-form, N-Me, 3-O-β-D-glucopyranoside
AlkaPlorer ID: AK285208
Synonym: Triumfettoside A
IUPAC Name: 17-[5-ethyl-4-hydroxy-6-methyl-6-(methylamino)-3-oxoheptan-2-yl]-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Structure
SMILES: CCC(C(O)C(=O)C(C)C1CCC2C3C(=O)C=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)(C)NC
InChI: InChI=1S/C36H59NO9/c1-8-21(34(3,4)37-7)29(41)28(40)18(2)22-9-10-23-27-24(12-14-36(22,23)6)35(5)13-11-20(15-19(35)16-25(27)39)45-33-32(44)31(43)30(42)26(17-38)46-33/h16,18,20-24,26-27,29-33,37-38,41-44H,8-15,17H2,1-7H3
InChIKey: DKWVFLWYXPPCPZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Triumfetta flavescens | Triumfetta | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 649.866
TPSA？: 165.78
MolLogP？: 2.519800000000002
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|