GD149181

Name:

3-{13-aminotetracyclo[6.5.3.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-14-yl}-5-hydroxy-1-(3-{4-hydroxy-3-[5-(hydroxymethyl)-4-{[(1H-pyrrol-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl]phenyl}prop-2-enoyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:

C53H60O13N6

Smiles:

NC1CCC2CC3CCC(C4c5cc(O)c(OC6(O)OC(CO)C(O)C(O)C6O)cc5N(C(=O)C=Cc5ccc(O)c(C6CC(CO)C(CNc7ccc[nH]7)c7[nH]cnc76)c5)C4C(=O)O)C12c1ccccc13

Aglycone:

NC1CCC2CC3CCC(C4c5cc(O)c(O)cc5N(C(=O)C=Cc5ccc(O)c(C6CC(CO)C(CNc7ccc[nH]7)c7[nH]cnc76)c5)C4C(=O)O)C12c1ccccc13

Sugarmoiety:

OCC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

• CNP0401046

AD59654

Formula: C47H50O7N6

Smiles:

NC1CCC2CC3CCC(C4c5cc(O)c(O)cc5N(C(=O)C=Cc5ccc(O)c(C6CC(CO)C(CNc7ccc[nH]7)c7[nH]cnc76)c5)C4C(=O)O)C12c1ccccc13

HBA:	13	RingCount:	11
HBD:	10	FractionCSP3:	0.38
AlogP:	6.36	Num_rotatable_bonds:	9
MolWt:	810.95	Num_heavy_atoms:	60
TPSA:	221.05	NumAromaticRings:	5