GD152276

Name:

22-amino-43,63,65-trichloro-2,21,31,35,38,44,47,49,54,56,59,64-dodecahydroxy-26-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2³,⁶.2¹⁴,¹⁷.2¹⁹,³⁴.1⁸,¹².1²³,²⁷.1²⁹,³³.1⁴¹,⁴⁵.0¹⁰,³⁷.0⁴⁶,⁵¹]hexahexaconta-3,5,8,10,12(64),14,16,20,23,25,27(61),29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

Formula:

C67H54O23N7Cl3

Smiles:

COC1OC(Oc2ccc3cc2Oc2cc(O)cc(c2)C2N=C(O)C(Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4N=C(O)C(N=C(O)C5N=C2O)c2cc(Cl)c(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)N=C4O)N=C(O)C3N)C(O)C(O)C1O

Aglycone:

NC1C(O)=NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O

Sugarmoiety:

COC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0337152

AD60646

Formula: C61H44O18N7Cl3

Smiles:

NC1C(O)=NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O

HBA:	25	RingCount:	13
HBD:	16	FractionCSP3:	0.16
AlogP:	10.68	Num_rotatable_bonds:	1
MolWt:	1233.38	Num_heavy_atoms:	86
TPSA:	428.16	NumAromaticRings:	7