GD151392

Name:

Maridomycin Ii

Formula:

C42H69O16N

Smiles:

COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O

Aglycone:

CC(C)CC(=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

• CNP0123702

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

AD48387

Formula: C22H34O9

Smiles:

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

HBA:	9	RingCount:	2
HBD:	2	FractionCSP3:	0.77
AlogP:	0.94	Num_rotatable_bonds:	4
MolWt:	442.51	Num_heavy_atoms:	31
TPSA:	131.89	NumAromaticRings:	0