GD141014

Name:

53-amino-63,65-dichloro-64-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(8-methyldecanamido)oxan-2-yl]oxy}-18-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-25,30,43,48-tetrahydroxy-20,36,39,54,56,59-hexaoxo-27-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,46-trioxa-21,35,38,55,57,60-hexaazaundecacyclo[38.15.2.2³,⁶.2¹⁴,¹⁷.2¹⁹,³⁴.1⁸,¹².1²⁹,³³.1⁴¹,⁴⁵.0¹⁰,³⁷.0²³,²⁸.0⁴⁷,⁵²]hexahexaconta-3,5,8(64),9,11,14,16,23(28),24,26,29(61),30,32,41,43,45(58),47(52),48,50,62,65-henicosaene-22-carboxylic acid

Formula:

C91H99O33N9Cl2

Smiles:

CCC(C)CCCCCCC(O)=NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C2N=C(O)C(N=C(O)C4N=C(O)C4N=C(O)C(Cc5ccc(c(Cl)c5)O3)N=C(O)C(N)c3cccc(O)c3Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)O)N=C2O)OC(CO)C(O)C1O

Aglycone:

CCC(C)CCCCCCC(=N)O.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)Oc2c(O)cccc21)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O

Sugarmoiety:

CC(O)=NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0044221

AD49098

Formula: C60H45O18N7Cl2

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)Oc2c(O)cccc21)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O

HBA:	25	RingCount:	13
HBD:	16	FractionCSP3:	0.16
AlogP:	10.03	Num_rotatable_bonds:	1
MolWt:	1198.94	Num_heavy_atoms:	85
TPSA:	428.16	NumAromaticRings:	7

AD53330

Formula: C11H23ON

Smiles:

CCC(C)CCCCCCC(=N)O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.91
AlogP:	3.91	Num_rotatable_bonds:	8
MolWt:	185.31	Num_heavy_atoms:	13
TPSA:	44.08	NumAromaticRings:	0