GD141873

Name:

Maridomycin I

Formula:

C43H71O16N

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0148918

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD02311

Formula: C23H36O9

Smiles:

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

HBA:	9	RingCount:	2
HBD:	2	FractionCSP3:	0.78
AlogP:	1.33	Num_rotatable_bonds:	5
MolWt:	456.53	Num_heavy_atoms:	32
TPSA:	131.89	NumAromaticRings:	0