GD150081

Name:

Phenelfamycin B

Formula:

C51H71O15N

Smiles:

CC=CC=CC1OC(O)(C(COC2CC(OC)C(O)C(C)O2)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(O)C(OC(=O)Cc2ccccc2)C1(C)C

Aglycone:

C=CC=CC.COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1.O=C(O)Cc1ccccc1

Sugarmoiety:

CC1(C)C(O)OC(O)(O)C(O)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0151234

AD00163

Formula: C5H8

Smiles:

C=CC=CC

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.2
AlogP:	1.75	Num_rotatable_bonds:	1
MolWt:	68.12	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0

AD00909

Formula: C8H8O2

Smiles:

O=C(O)Cc1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.12
AlogP:	1.31	Num_rotatable_bonds:	2
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	37.3	NumAromaticRings:	1

AD46606

Formula: C24H35O7N

Smiles:

COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1

HBA:	8	RingCount:	1
HBD:	4	FractionCSP3:	0.5
AlogP:	2.75	Num_rotatable_bonds:	13
MolWt:	449.54	Num_heavy_atoms:	32
TPSA:	128.81	NumAromaticRings:	0