GD144366

Name:

21-({2-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl}methyl)-12-ethyl-20-hydroxy-7,18-bis(hydroxymethyl)-7,14,18,22-tetramethyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]pentacos-3-ene-10-carboxylic acid

Formula:

C52H82O13N4

Smiles:

CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(O)C(CC2C(CO)C(O)=NC2C(CCC(N)O)c2cnc[nH]2)C14C

Aglycone:

CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(O)C(O)C(CC2C(CO)C(O)=NC2C(CCC(N)O)c2cnc[nH]2)C14C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0380986

AD58020

Formula: C47H74O9N4

Smiles:

CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(O)C(O)C(CC2C(CO)C(O)=NC2C(CCC(N)O)c2cnc[nH]2)C14C

HBA:	13	RingCount:	8
HBD:	11	FractionCSP3:	0.85
AlogP:	5.06	Num_rotatable_bonds:	12
MolWt:	839.13	Num_heavy_atoms:	60
TPSA:	245.97	NumAromaticRings:	1