GD133174

Name:

N-(1-{[10-(2-carbamoyl-1-hydroxyethyl)-4-(2-carbamoylethyl)-13-ethylidene-21-hydroxy-35-(1-hydroxyethyl)-31-methyl-3,6,9,12,15,29,33,36-octaoxo-2,5,8,11,14,24,26,30,34,37-decaazatetracyclo[14.12.9.1¹⁸,²².0²³,²⁷]octatriaconta-18,20,22(38),23(27),24-pentaen-32-yl]carbamoyl}prop-1-en-1-yl)-2-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentadeca-4,6-dienamide

Formula:

C63H90O21N14

Smiles:

CC=C1N=C(O)C2Cc3ccc(O)c(c3)-c3[nH]cnc3CC(N=C(O)C(CCC(=N)O)N=C(O)CN=C(O)C(C(O)CC(=N)O)N=C1O)C(O)=NC(C)C(N=C(O)C(=CC)N=C(O)C(O)C(C=CC=CCCCCCCCC)OC1OCC(O)C(O)C1O)C(O)=NC(C(C)O)C(O)=N2

Aglycone:

CC=C1N=C(O)C2Cc3ccc(O)c(c3)-c3[nH]cnc3CC(N=C(O)C(CCC(=N)O)N=C(O)CN=C(O)C(C(O)CC(=N)O)N=C1O)C(O)=NC(C)C(N=C(O)C(=CC)N=C(O)C(O)C(O)C=CC=CCCCCCCCC)C(O)=NC(C(C)O)C(O)=N2

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0182646

AD53913

Formula: C58H82O17N14

Smiles:

CC=C1N=C(O)C2Cc3ccc(O)c(c3)-c3[nH]cnc3CC(N=C(O)C(CCC(=N)O)N=C(O)CN=C(O)C(C(O)CC(=N)O)N=C1O)C(O)=NC(C)C(N=C(O)C(=CC)N=C(O)C(O)C(O)C=CC=CCCCCCCCC)C(O)=NC(C(C)O)C(O)=N2

HBA:	31	RingCount:	4
HBD:	20	FractionCSP3:	0.5
AlogP:	6.43	Num_rotatable_bonds:	21
MolWt:	1247.38	Num_heavy_atoms:	89
TPSA:	543.89	NumAromaticRings:	2