GD117723

Name:

22-amino-47,49-dibutoxy-43,63,65-trichloro-26-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,21,31,35,38,44,56,59,64-nonahydroxy-53-methyl-54-oxo-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),47,49,55,58,62,65-hexacosaene-52-carboxylic acid

Formula:

C82H82O28N7Cl3

Smiles:

CCCCOc1cc(OCCCC)c2c(c1)C(C(=O)O)N(C)C(=O)C1N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C1O)N=C(O)C(N)c1ccc(OC3OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C3O)c(c1)Oc1cc(O)cc4c1)c1cc(Cl)c(O)c-2c1

Aglycone:

CCCCOc1cc(OCCCC)c2c(c1)C(C(=O)O)N(C)C(=O)C1N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C1O)N=C(O)C(N)c1ccc(O)c(c1)Oc1cc(O)cc4c1)c1cc(Cl)c(O)c-2c1

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0165360

AD46976

Formula: C70H62O18N7Cl3

Smiles:

CCCCOc1cc(OCCCC)c2c(c1)C(C(=O)O)N(C)C(=O)C1N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C1O)N=C(O)C(N)c1ccc(O)c(c1)Oc1cc(O)cc4c1)c1cc(Cl)c(O)c-2c1

HBA:	25	RingCount:	13
HBD:	13	FractionCSP3:	0.27
AlogP:	13.13	Num_rotatable_bonds:	9
MolWt:	1359.62	Num_heavy_atoms:	95
TPSA:	393.88	NumAromaticRings:	7