GD135813

Name:

21-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-22-cyclohexyl-20-hydroxy-7,18-bis(hydroxymethyl)-12-[(1H-imidazol-5-yl)methyl]-7,14,18-trimethyl-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:

C62H94O12N6

Smiles:

CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C34CCCC5(CC=C3C2C1)C1(C2CCCCC2)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45C

Aglycone:

CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C34CCCC5(CC=C3C2C1)C1(C2CCCCC2)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C(O)C(O)C(C)(CO)C1CCC45C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0119906

AD54912

Formula: C57H86O8N6

Smiles:

CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C34CCCC5(CC=C3C2C1)C1(C2CCCCC2)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C(O)C(O)C(C)(CO)C1CCC45C

HBA:	14	RingCount:	11
HBD:	11	FractionCSP3:	0.82
AlogP:	8.13	Num_rotatable_bonds:	13
MolWt:	983.35	Num_heavy_atoms:	71
TPSA:	254.42	NumAromaticRings:	2