2-Amino-5,8-pentadecadiene-1,3,4,15-tetrol; (2S,3S,4R,5E,8E)-form, N-(2R-Hydroxyhexacosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK287002
Synonym: Bractin B
IUPAC Name: None
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)/C=C/C/C=C/CCCCCCO
InChI: InChI=1S/C47H89NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-28-31-34-40(52)46(57)48-38(37-58-47-45(56)44(55)43(54)41(36-50)59-47)42(53)39(51)33-30-27-24-22-20-23-26-29-32-35-49/h22,24,30,33,38-45,47,49-56H,2-21,23,25-29,31-32,34-37H2,1H3,(H,48,57)/b24-22+,33-30+
InChIKey: KSWRKAMVMGXYIC-UVMUYPDISA-N
Reference
CAS: 941570-12-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ajuga bracteosa | Ajuga | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 844.2250000000003
TPSA？: 209.4
MolLogP？: 6.8079000000000125
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|