GD146772

Name:

Warkmycin

Formula:

C51H73O22N

Smiles:

COCOC1C(C)=CC(OC2CC(OC)C(OC(=N)O)C(C)O2)C2(O)C3C(=O)c4ccc(C5CC(OC6CC(C)(O)C(OC7CCC(O)C(C)O7)C(C)O6)C(C)C(C)O5)c(O)c4C(=O)C3C(O)C(OC(C)=O)C12O

Aglycone:

CC1OC(O)CCC1O.COCOC1C(C)=CC(O)C2(O)C3C(=O)c4ccc(C5CC(O)C(C)C(C)O5)c(O)c4C(=O)C3C(O)C(OC(C)=O)C12O

Sugarmoiety:

CC1OC(O)CC(C)(O)C1O.COC1CC(O)OC(C)C1OC(=N)O

Other Identifiers

• CNP0081072

AD00171

Formula: C6H12O3

Smiles:

CC1OC(O)CCC1O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.14	Num_rotatable_bonds:	0
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	49.69	NumAromaticRings:	0

AD58830

Formula: C30H38O13

Smiles:

COCOC1C(C)=CC(O)C2(O)C3C(=O)c4ccc(C5CC(O)C(C)C(C)O5)c(O)c4C(=O)C3C(O)C(OC(C)=O)C12O

HBA:	13	RingCount:	5
HBD:	6	FractionCSP3:	0.63
AlogP:	-0.07	Num_rotatable_bonds:	5
MolWt:	606.62	Num_heavy_atoms:	43
TPSA:	209.51	NumAromaticRings:	1