GD155354

Name:

3-[9,15-diethenyl-5,10,14,19-tetramethyl-20-(2-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl}ethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaen-4-yl]-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide

Formula:

C46H56O12N6

Smiles:

C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(O)=NC1C(O)OC(CO)C(O)C1O)C(CCC(O)=NC1C(O)OC(CO)C(O)C1O)=C4C)c(C=C)c3C

Aglycone:

C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=N)O)C(CCC(=N)O)=C4C)c(C=C)c3C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0086018

AD61630

Formula: C34H36O2N6

Smiles:

C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=N)O)C(CCC(=N)O)=C4C)c(C=C)c3C

HBA:	8	RingCount:	5
HBD:	6	FractionCSP3:	0.24
AlogP:	8.71	Num_rotatable_bonds:	8
MolWt:	560.7	Num_heavy_atoms:	42
TPSA:	145.52	NumAromaticRings:	3