Gypsin A
AlkaPlorer ID: AK144721
Synonym: ''
IUPAC Name: (3R,6S,9S,15S,21S)-6,15-bis[(2S)-butan-2-yl]-3-(1H-indol-3-ylmethyl)-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracosane-2,5,8,14,17,20-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C35H49N7O6/c1-5-20(3)29-33(46)38-25(17-22-18-36-24-12-8-7-11-23(22)24)34(47)41-15-9-13-26(41)31(44)37-19-28(43)39-30(21(4)6-2)35(48)42-16-10-14-27(42)32(45)40-29/h7-8,11-12,18,20-21,25-27,29-30,36H,5-6,9-10,13-17,19H2,1-4H3,(H,37,44)(H,38,46)(H,39,43)(H,40,45)/t20-,21-,25+,26-,27-,29-,30-/m0/s1
InChIKey: ATTPAVZICRNMOF-LSEKIACKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila arabica | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 663.8199999999999
TPSA？: 186.77
MolLogP？: 4.730000000000003
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|