GD155011

Name:

methyl 22-amino-2-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-18,21,26,31,35,38,44,49,54,56,59-undecahydroxy-30-methyl-47-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-64-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-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),30,32,35,38,41,43,45(57),46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylate

Formula:

C84H92O35N8

Smiles:

COC(=O)C1N=C(O)C2N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(N=C(O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)Oc3ccc(cc3)C2OC2CC(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc21

Aglycone:

COC(=O)C1N=C(O)C2N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(N=C(O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0341766

AD51734

Formula: C66H62O21N8

Smiles:

COC(=O)C1N=C(O)C2N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(N=C(O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

HBA:	29	RingCount:	14
HBD:	18	FractionCSP3:	0.26
AlogP:	8.45	Num_rotatable_bonds:	3
MolWt:	1303.26	Num_heavy_atoms:	95
TPSA:	481.87	NumAromaticRings:	7