Glabrin B
AlkaPlorer ID: AK014605
Synonym: ''
IUPAC Name: (3S,9R,12S,15S,18S,21S,24S)-3-[(1R)-1-hydroxyethyl]-9-[(4-hydroxyphenyl)methyl]-15-methyl-21-[2-[(R)-methylsulfinyl]ethyl]-12,18-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
Structure
SMILES: CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC[S@@](C)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H](CC2=CC=C(O)C=C2)NC1=O
InChI: InChI=1S/C38H58N8O11S/c1-19(2)29-36(54)40-21(5)32(50)44-30(20(3)4)37(55)42-26(17-23-10-12-24(48)13-11-23)33(51)39-18-28(49)43-31(22(6)47)38(56)46-15-8-9-27(46)35(53)41-25(34(52)45-29)14-16-58(7)57/h10-13,19-22,25-27,29-31,47-48H,8-9,14-18H2,1-7H3,(H,39,51)(H,40,54)(H,41,53)(H,42,55)(H,43,49)(H,44,50)(H,45,52)/t21-,22+,25-,26+,27-,29-,30-,31-,58+/m0/s1
InChIKey: RQTQLHLAHGKXJH-BRWMXMBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona glabra | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 834.9940000000001
TPSA？: 281.54
MolLogP？: -2.554400000000001
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|