GD157143

Name:

18-Dihydromaridomycin Iii

Formula:

C41H69O16N

Smiles:

CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CCO)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C1OC

Aglycone:

CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CCO)C(O)C1OC

Sugarmoiety:

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

Other Identifiers

• CNP0426815

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0

AD62155

Formula: C23H38O9

Smiles:

CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CCO)C(O)C1OC

HBA:	9	RingCount:	2
HBD:	3	FractionCSP3:	0.83
AlogP:	1.12	Num_rotatable_bonds:	5
MolWt:	458.55	Num_heavy_atoms:	32
TPSA:	135.05	NumAromaticRings:	0