Arborcandin D
AlkaPlorer ID: AK036764
Synonym: '', 'Arborcandin D'
IUPAC Name: (2R)-3-[(2S,5R,8S,11S,14R,17S,20R,23R)-5,8-bis(2-amino-2-oxoethyl)-23-[(3S)-3-hydroxydodecyl]-17,20-bis[(1S)-1-hydroxyethyl]-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-2-(8-oxotetradecyl)-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxypropanamide
Structure
SMILES: CCCCCCCCC[C@H](O)CC[C@H]1NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](C[C@@H](O)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCCCCC(=O)CCCCCC)NC(=O)CCNC(=O)CNC1=O
InChI: InChI=1S/C59H103N13O18/c1-6-8-10-12-13-15-20-24-38(76)26-27-40-53(84)64-33-48(81)63-29-28-47(80)66-39(25-21-17-14-16-19-23-37(75)22-18-11-9-7-2)54(85)69-43(32-46(61)79)56(87)70-42(31-45(60)78)55(86)65-34(3)52(83)68-41(30-44(77)51(62)82)57(88)71-50(36(5)74)59(90)72-49(35(4)73)58(89)67-40/h34-36,38-44,49-50,73-74,76-77H,6-33H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,82)(H,63,81)(H,64,84)(H,65,86)(H,66,80)(H,67,89)(H,68,83)(H,69,85)(H,70,87)(H,71,88)(H,72,90)/t34-,35-,36-,38-,39-,40+,41+,42-,43+,44+,49+,50-/m0/s1
InChIKey: CZQMSPFUTKQPKB-RAMOUODASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 1282.5459999999996
TPSA？: 518.2599999999998
MolLogP？: -3.178500000000019
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|