Arborcandin; Arborcandin B
AlkaPlorer ID: AK289130
Synonym: None
IUPAC Name: 3-[5,8-bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-2-(8-hydroxytridecyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxypropanamide
Structure
SMILES: CCCCCCCCCC(O)CCC1NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC(O)C(N)=O)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCCCCC(O)CCCCC)NC(=O)CCNC(=O)CNC1=O
InChI: InChI=1S/C58H103N13O18/c1-6-8-10-11-12-14-19-23-37(75)25-26-39-52(83)63-32-47(80)62-28-27-46(79)65-38(24-20-16-13-15-18-22-36(74)21-17-9-7-2)53(84)68-42(31-45(60)78)55(86)69-41(30-44(59)77)54(85)64-33(3)51(82)67-40(29-43(76)50(61)81)56(87)70-49(35(5)73)58(89)71-48(34(4)72)57(88)66-39/h33-43,48-49,72-76H,6-32H2,1-5H3,(H2,59,77)(H2,60,78)(H2,61,81)(H,62,80)(H,63,83)(H,64,85)(H,65,79)(H,66,88)(H,67,82)(H,68,84)(H,69,86)(H,70,87)(H,71,89)
InChIKey: VZFZGDKKOUEQOZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 1270.5349999999996
TPSA？: 521.4199999999998
MolLogP？: -3.776800000000021
Number of H-Donors: 18
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|