GD149160

Name:

Brasilicardin B

Formula:

C44H66O15N2

Smiles:

CC1=CCC2C(C)(CCC3C(C)(C)C(O)C(OC4OC(C)C(OC(=O)c5cccc(O)c5)C(OC5OC(CO)C(O)C(O)C5N=C(C)O)C4O)CC32C)C1CCC(N)C(=O)O

Aglycone:

CC1=CCC2C(C)(CCC3C(C)(C)C(O)C(O)CC32C)C1CCC(N)C(=O)O.O=C(O)c1cccc(O)c1

Sugarmoiety:

CC(O)=NC1C(OC2C(O)C(C)OC(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0242562

AD18980

Formula: C7H6O3

Smiles:

O=C(O)c1cccc(O)c1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.09	Num_rotatable_bonds:	1
MolWt:	138.12	Num_heavy_atoms:	10
TPSA:	57.53	NumAromaticRings:	1

AD59647

Formula: C23H39O4N

Smiles:

CC1=CCC2C(C)(CCC3C(C)(C)C(O)C(O)CC32C)C1CCC(N)C(=O)O

HBA:	5	RingCount:	3
HBD:	5	FractionCSP3:	0.87
AlogP:	3.34	Num_rotatable_bonds:	4
MolWt:	393.57	Num_heavy_atoms:	28
TPSA:	103.78	NumAromaticRings:	0