2-Amino-17-methyl-1,3,4-octadecanetriol; (2S,3S,4R)-form, N-(2R-Hydroxytricosanoyl), 1-O-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoside]
AlkaPlorer ID: AK286400
Synonym: None
IUPAC Name: N-[1-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-17-methyloctadecan-2-yl]-2-hydroxytricosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(OC2OC(C)C(O)C(O)C2O)C1NC(C)=O)C(O)C(O)CCCCCCCCCCCCC(C)C
InChI: InChI=1S/C64H121N3O19/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-38-48(73)61(80)67-46(54(75)47(72)37-34-31-28-25-23-22-24-27-30-33-36-42(2)3)41-81-62-52(66-45(6)71)60(86-64-58(79)57(78)53(74)43(4)82-64)59(50(40-69)84-62)85-63-51(65-44(5)70)56(77)55(76)49(39-68)83-63/h42-43,46-60,62-64,68-69,72-79H,7-41H2,1-6H3,(H,65,70)(H,66,71)(H,67,80)
InChIKey: DEOLBMVLWVHDQV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysinella rhax | Aplysinella | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1236.674000000001
TPSA？: 344.98
MolLogP？: 5.4931000000000125
Number of H-Donors: 13
Number of H-Acceptors: 19
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|