Corbomycin

AlkaPlorer ID: AK328203

Synonym: None

IUPAC Name: 2-[[25-[[2-acetamido-2-(4-hydroxyphenyl)acetyl]amino]-28,33,48,51,53,67-hexahydroxy-24,38,41,58,60,63-hexaoxo-7,31-dioxa-18,23,39,42,57,59,62-heptazadodecacyclo[41.15.2.23,6.222,37.18,12.113,17.126,30.132,36.145,49.010,40.016,20.050,55]nonahexaconta-3(69),4,6(68),8,10,12(67),13(66),14,16,19,26,28,30(65),32,34,36(64),45(61),46,48,50(55),51,53-docosaene-56-carbonyl]amino]-2-(3,5-dihydroxyphenyl)acetic acid

Structure

SMILES: CC(=O)NC(C(=O)NC1C(=O)NC2CC3=CNC4=CC(=CC=C34)C3=CC4=CC(=C3O)OC3=CC=C(C=C3)CC3NC(=O)C(CC5=CC=C(O)C(=C5)C5=C(O)C=C(O)C=C5C(C(=O)NC(C(=O)O)C5=CC(O)=CC(O)=C5)NC3=O)NC(=O)C4NC(=O)C(NC2=O)C2=CC=C(O)C(=C2)OC2=CC(O)=CC1=C2)C1=CC=C(O)C=C1

copy

InChI: InChI=1S/C79H66N10O22/c1-33(90)81-64(36-5-9-43(91)10-6-36)76(105)86-66-40-21-46(94)29-49(22-40)111-61-26-38(8-15-59(61)97)65-77(106)87-67-41-23-51(37-7-13-50-42(32-80-54(50)24-37)25-57(73(102)85-65)84-74(66)103)70(99)62(27-41)110-48-11-2-34(3-12-48)17-55-72(101)89-69(78(107)88-68(79(108)109)39-19-44(92)28-45(93)20-39)53-30-47(95)31-60(98)63(53)52-16-35(4-14-58(52)96)18-56(71(100)82-55)83-75(67)104/h2-16,19-24,26-32,55-57,64-69,80,91-99H,17-18,25H2,1H3,(H,81,90)(H,82,100)(H,83,104)(H,84,103)(H,85,102)(H,86,105)(H,87,106)(H,88,107)(H,89,101)(H,108,109)

copy

InChIKey: YPKFJNUZFFXJND-UHFFFAOYSA-N

copy

Source

Properties Information

Molecule Weight: 1507.4450000000006

TPSA: 515.52

MolLogP: 5.422300000000005

Number of H-Donors: 20

Number of H-Acceptors: 21

RingCount: 16

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information