GD130442

Name:

18-Dihydro-9-Propionylmaridomycin Iii

Formula:

C44H73O17N

Smiles:

CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(=O)CC)C(OC)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C(CCO)CC1C

Aglycone:

CCC(=O)O.CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(=O)CC)C(OC)C(O)C(CCO)CC1C

Sugarmoiety:

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

Other Identifiers

• CNP0424896

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

AD52864

Formula: C26H42O10

Smiles:

CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(=O)CC)C(OC)C(O)C(CCO)CC1C

HBA:	10	RingCount:	2
HBD:	2	FractionCSP3:	0.81
AlogP:	2.08	Num_rotatable_bonds:	7
MolWt:	514.61	Num_heavy_atoms:	36
TPSA:	141.12	NumAromaticRings:	0