GD139808

Name:

Phocoenamicin C

Formula:

C57H75O19Cl

Smiles:

CC(=O)C(C)(O)C(O)CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(OC5OC(C)C(O)C(OC6OC(C)C(OC(=O)c7c(O)ccc(Cl)c7C)C(O)C6O)C5O)C(C)CC(C)C42)C(C)C=CCC3(C)C=C1C

Aglycone:

CC(=O)C(C)(O)C(O)CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)C(C)CC(C)C42)C(C)C=CCC3(C)C=C1C.Cc1c(Cl)ccc(O)c1C(=O)O

Sugarmoiety:

CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0405433

AD48091

Formula: C9H7O3Cl

Smiles:

Cc1c(Cl)ccc(O)c1C(=O)O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.12
AlogP:	2.05	Num_rotatable_bonds:	1
MolWt:	186.59	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	1

AD56382

Formula: C36H50O9

Smiles:

CC(=O)C(C)(O)C(O)CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)C(C)CC(C)C42)C(C)C=CCC3(C)C=C1C

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.69
AlogP:	4.72	Num_rotatable_bonds:	4
MolWt:	626.79	Num_heavy_atoms:	45
TPSA:	150.59	NumAromaticRings:	0