Gypsin C
AlkaPlorer ID: AK146317
Synonym: ''
IUPAC Name: (1S,7S,10S,13S,19S,22S,25S,28S)-25,28-bis[(2S)-butan-2-yl]-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-3,9,12,15,21,24,27,30-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C42H62N8O9/c1-7-23(3)33-39(56)47-34(24(4)8-2)42(59)50-21-11-14-32(50)41(58)49-20-10-12-30(49)37(54)43-25(5)35(52)44-26(6)40(57)48-19-9-13-31(48)38(55)45-29(36(53)46-33)22-27-15-17-28(51)18-16-27/h15-18,23-26,29-34,51H,7-14,19-22H2,1-6H3,(H,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,56)/t23-,24-,25-,26-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey: DYBWMVGRMSFBIF-KIQNSODUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila arabica | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 823.0049999999997
TPSA？: 244.11
MolLogP？: 4.678800000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|