GD017397

Name:

EFROTOMYCIN

Formula:

C59H88O20N2

Smiles:

CC=CC=C[C@@H]1O[C@](O)([C@H](CC)C(=O)NCC=CC=C(C)[C@H](OC)[C@H](C)[C@@H]2O[C@H](C=CC=CC=C(C)C(=O)c3c(O)ccn(C)c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O)[C@H]3OC)[C@H](OC)[C@H]2O)C1(C)C

Aglycone:

C=CC=CC.C=CC=CC=C(C)C(=O)c1c(O)ccn(C)c1=O.CCCC(=O)NCC=CC=C(C)C(CC)OC

Sugarmoiety:

CO.COC1C(C)OC(OC2C(C)OC(OC3C(O)C(O)(O)OOC3(C)C)C(O)C2OC)C(OC)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2106443

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

AD06047

Formula: C14H15O3N

Smiles:

C=CC=CC=C(C)C(=O)c1c(O)ccn(C)c1=O

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.96	Num_rotatable_bonds:	4
MolWt:	245.28	Num_heavy_atoms:	18
TPSA:	59.3	NumAromaticRings:	1

AD06048

Formula: C14H25O2N

Smiles:

CCCC(=O)NCC=CC=C(C)C(CC)OC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.64
AlogP:	2.83	Num_rotatable_bonds:	8
MolWt:	239.36	Num_heavy_atoms:	17
TPSA:	38.33	NumAromaticRings:	0