Stigmast-5-en-3-ol; (3β,24R)-form, 3-O-(2-Acetamido-2-deoxy-β-D-glucopyranoside)
AlkaPlorer ID: AK314458
Synonym: Leonuroside A
IUPAC Name: N-[2-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Structure
SMILES: CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5NC(C)=O)CCC4(C)C3CCC12C)C(C)C
InChI: InChI=1S/C37H63NO6/c1-8-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-19-26(15-17-36(25,6)30(27)16-18-37(28,29)7)43-35-32(38-23(5)40)34(42)33(41)31(20-39)44-35/h11,21-22,24,26-35,39,41-42H,8-10,12-20H2,1-7H3,(H,38,40)
InChIKey: HLGRVFMFOATGKQ-UHFFFAOYSA-N
Reference
CAS: 1218785-15-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leonurus japonicus | Leonurus | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 617.912
TPSA？: 108.25
MolLogP？: 5.992800000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|