GD144880

Name:

23-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-22-cyclopentyl-24-hydroxy-15,26-bis(hydroxymethyl)-15,26,30-trimethyl-25-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5,7,9-triazaoctacyclo[19.9.3.0¹,¹⁸.0²,¹¹.0⁴,⁸.0¹²,¹⁷.0²¹,³⁰.0²²,²⁷]tritriaconta-4(8),6,18-triene-12-carboxylic acid

Formula:

C62H93O12N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34CCCC1(C1Cc5nc[nH]c5NCC12)C3(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(O)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C14C1CCCC1

Aglycone:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34CCCC1(C1Cc5nc[nH]c5NCC12)C3(C)CCC1C(C)(CO)C(O)C(O)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C14C1CCCC1

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0253158

AD58187

Formula: C57H85O8N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34CCCC1(C1Cc5nc[nH]c5NCC12)C3(C)CCC1C(C)(CO)C(O)C(O)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C14C1CCCC1

HBA:	15	RingCount:	12
HBD:	12	FractionCSP3:	0.82
AlogP:	7.39	Num_rotatable_bonds:	11
MolWt:	996.35	Num_heavy_atoms:	72
TPSA:	266.45	NumAromaticRings:	2