GD153678

Name:

Chalcomycin B

Formula:

C41H64O16

Smiles:

CCC(=O)OC1C(OC)CC(C)OC1OC1C(C)C=CC(=O)OC(C)C(COC2OC(C)C(OC(=O)CC)C(OC)C2OC)C2OC2C=CC(=O)C(C)(O)CC1C

Aglycone:

CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CC(C)C1O.CCC(=O)O.CCC(=O)O

Sugarmoiety:

COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1O

Other Identifiers

• CNP0104572

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

AD00673

Formula: C20H30O7

Smiles:

CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CC(C)C1O

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.7
AlogP:	0.76	Num_rotatable_bonds:	1
MolWt:	382.45	Num_heavy_atoms:	27
TPSA:	116.59	NumAromaticRings:	0