GD139256

Name:

10-({2-[4-amino-1-(1H-imidazol-4-yl)butyl]-5-oxopyrrolidin-3-yl}methyl)-9-hydroxy-22-(2-hydroxyethyl)-7,18-bis(hydroxymethyl)-2,3,7,11,18-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹⁵.0³,¹².0⁶,¹¹.0²⁰,²⁵]pentacos-14-ene-25-carboxylic acid

Formula:

C52H82O12N4

Smiles:

CC1(CO)CC2CC(CCO)CC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(CC5CC(O)=NC5C(CCCN)c5cnc[nH]5)C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC2(C)C13C

Aglycone:

CC1(CO)CC2CC(CCO)CC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(CC5CC(O)=NC5C(CCCN)c5cnc[nH]5)C(O)C(O)C(C)(CO)C4CCC2(C)C13C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0144472

AD56155

Formula: C47H74O8N4

Smiles:

CC1(CO)CC2CC(CCO)CC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(CC5CC(O)=NC5C(CCCN)c5cnc[nH]5)C(O)C(O)C(C)(CO)C4CCC2(C)C13C

HBA:	12	RingCount:	8
HBD:	10	FractionCSP3:	0.85
AlogP:	5.6	Num_rotatable_bonds:	12
MolWt:	823.13	Num_heavy_atoms:	59
TPSA:	225.74	NumAromaticRings:	1