GD150422

Name:

preternatin a3

Formula:

C63H75O36

Smiles:

O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)OCC1OC(Oc2cc(C3Oc4cc(O)cc(O)c4C=C3OC3OC(CO)C(O)C(O)C3O)cc(OC3OC(COC(=O)C=Cc4ccc(OC5OC(C[OH2+])C(O)C(O)C5O)cc4)C(O)C(O)C3O)c2O)C(O)C(O)C1O

Aglycone:

COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1.OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1

Sugarmoiety:

OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0471352

AD00020

Formula: C10H10O3

Smiles:

COC(=O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.1
AlogP:	1.58	Num_rotatable_bonds:	2
MolWt:	178.19	Num_heavy_atoms:	13
TPSA:	46.53	NumAromaticRings:	1

AD45104

Formula: C15H12O7

Smiles:

OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1

HBA:	7	RingCount:	3
HBD:	6	FractionCSP3:	0.07
AlogP:	2.25	Num_rotatable_bonds:	1
MolWt:	304.25	Num_heavy_atoms:	22
TPSA:	130.61	NumAromaticRings:	2