Gypsin D
AlkaPlorer ID: AK129897
Synonym: ''
IUPAC Name: (3S,6S,9S,12S,21S)-6-[(2S)-butan-2-yl]-9,12-bis(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N=C1O
InChI: InChI=1S/C32H44N8O9/c1-3-17(2)27-31(48)37-21(11-18-12-33-20-8-5-4-7-19(18)20)32(49)40-10-6-9-24(40)30(47)35-13-25(43)34-14-26(44)36-22(15-41)28(45)38-23(16-42)29(46)39-27/h4-5,7-8,12,17,21-24,27,33,41-42H,3,6,9-11,13-16H2,1-2H3,(H,34,43)(H,35,47)(H,36,44)(H,37,48)(H,38,45)(H,39,46)/t17-,21-,22-,23-,24-,27-/m0/s1
InChIKey: ISDVIJCEPBQNDS-IIFQFWMTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila arabica | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 684.7510000000002
TPSA？: 272.1
MolLogP？: 1.959100000000006
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|