avilamycin A | CAS No. 69787-79-7

avilamycin A

Basic Information

CAS Number

69787-79-7

Molecular Formula

C61H88Cl2O32

Molecular Weight

1404.24 g/mol

AD

Basic Physical Properties

Density

1.5

Refractive Index

1.6

COCC1OC(OC2OCC3OC4(OC3C2OC(=O)C(C)C)OC(C)C(O)(C2OCOC42)C(C)=O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3C(C)O2)C1O

InChI

InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3

InChIKey

XIRGHRXBGGPPKY-UHFFFAOYSA-N

LogP

1.0520200000000153

Topological Polar Surface Area

384.88000000000005 Ų

Hydrogen Bond Donor/Acceptor

6 / 32

Complexity

2660

Synonyms & References

English

  • avilamycin A
  • 3)-O-6-deoxy-4-O-methyl-b-D-galactopyranosyl-(1&reg
  • 3-4)-2-O-(2-methyl-1-oxopropyl)-
  • 3-4)-2-O-(2-methyl-1-oxopropyl)-a-L-lyxopyranosylO-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-b-D-arabino-hexopyranosyl-(1&reg
  • 3-4)-O-2,6-dideoxy-3-C-methyl-b-D-arabino-hexopyranosyl-(1&reg
  • 4)-O-2,6-dideoxy-D-arabino-hexopyranosylidene-(1&reg
  • b-D-Mannopyranoside,O-(1R)-4-C-acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1&reg
  • Flambamycin, 23-deoxy-
  • Q27158680

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