GD156241

Name:

21-({2-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl}methyl)-20-hydroxy-7,18-bis(hydroxymethyl)-12-[(1H-imidazol-5-yl)methyl]-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:

C54H82O13N6

Smiles:

CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C34CCCC5(CC=C3C2C1)C1(C)C(CC2C(CO)C(O)=NC2C(CCC(N)O)c2cnc[nH]2)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(C)C(CC2C(CO)C(O)=NC2C(CCC(N)O)c2cnc[nH]2)C(O)C(O)C(C)(CO)C1CCC45C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0419380

AD61884

Formula: C49H74O9N6

Smiles:

CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C34CCCC5(CC=C3C2C1)C1(C)C(CC2C(CO)C(O)=NC2C(CCC(N)O)c2cnc[nH]2)C(O)C(O)C(C)(CO)C1CCC45C

HBA:	15	RingCount:	9
HBD:	12	FractionCSP3:	0.8
AlogP:	4.62	Num_rotatable_bonds:	13
MolWt:	891.16	Num_heavy_atoms:	64
TPSA:	274.65	NumAromaticRings:	2