GD133110

Name:

Warkmycin Cs2

Formula:

C50H67O23N

Smiles:

COC1CC(OC2C=C(C)C(OC(C)=O)C3(O)C(OC(C)=O)C(O)C4=C(C(=O)c5ccc(C6CC(OC7CC(C)(O)C(OC8CCC(OC(=N)O)C(C)O8)C(C)O7)C(O)C(C)O6)c(O)c5C4=O)C23O)OC(C)C1O

Aglycone:

CC(=O)OC1C(C)=CC(O)C2(O)C3=C(C(=O)c4c(ccc(C5CC(O)C(O)C(C)O5)c4O)C3=O)C(O)C(OC(C)=O)C12O.CC1OC(O)CCC1OC(=N)O

Sugarmoiety:

CC1OC(O)CC(C)(O)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0071764

AD46806

Formula: C7H13O4N

Smiles:

CC1OC(O)CCC1OC(=N)O

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.86
AlogP:	0.38	Num_rotatable_bonds:	1
MolWt:	175.18	Num_heavy_atoms:	12
TPSA:	82.77	NumAromaticRings:	0

AD49775

Formula: C29H32O14

Smiles:

CC(=O)OC1C(C)=CC(O)C2(O)C3=C(C(=O)c4c(ccc(C5CC(O)C(O)C(C)O5)c4O)C3=O)C(O)C(OC(C)=O)C12O

HBA:	14	RingCount:	5
HBD:	7	FractionCSP3:	0.52
AlogP:	-1.34	Num_rotatable_bonds:	3
MolWt:	604.56	Num_heavy_atoms:	43
TPSA:	237.58	NumAromaticRings:	1