GD147971

Name:

Deltamycin A3

Formula:

C41H65O16N

Smiles:

CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(=O)C=CC4OC4CC(C)OC(=O)CC(OC(C)=O)C3OC)C(O)C2N(C)C)CC1(C)O

Aglycone:

CCCC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CNP0268311

AD00768

Formula: C22H32O9

Smiles:

COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1O

HBA:	9	RingCount:	2
HBD:	1	FractionCSP3:	0.73
AlogP:	1.14	Num_rotatable_bonds:	4
MolWt:	440.49	Num_heavy_atoms:	31
TPSA:	128.73	NumAromaticRings:	0

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0