GD149391

Name:

23-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-24-hydroxy-15,26-bis(hydroxymethyl)-15,22,26,30-tetramethyl-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:

C58H87O12N7

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)C14C

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)C14C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0096374

AD59751

Formula: C53H79O8N7

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)C14C

HBA:	15	RingCount:	11
HBD:	12	FractionCSP3:	0.81
AlogP:	6.22	Num_rotatable_bonds:	10
MolWt:	942.26	Num_heavy_atoms:	68
TPSA:	266.45	NumAromaticRings:	2