GD145172

Name:

Brasilicardin A

Formula:

C45H68O16N2

Smiles:

COC(CC1C(C)=CCC2C1(C)CCC1C(C)(C)C(O)C(OC3OC(C)C(OC(=O)c4cccc(O)c4)C(OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)CC12C)C(N)C(=O)O

Aglycone:

COC(CC1C(C)=CCC2C1(C)CCC1C(C)(C)C(O)C(O)CC12C)C(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

• CNP0182047

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

AD52982

Formula: C24H41O5N

Smiles:

COC(CC1C(C)=CCC2C1(C)CCC1C(C)(C)C(O)C(O)CC12C)C(N)C(=O)O

HBA:	6	RingCount:	3
HBD:	5	FractionCSP3:	0.88
AlogP:	2.96	Num_rotatable_bonds:	5
MolWt:	423.59	Num_heavy_atoms:	30
TPSA:	113.01	NumAromaticRings:	0