GD114611

Name:

Dalmaisiose P

Formula:

C67H80O35

Smiles:

COc1cc(C=CC(=O)OCC2OC(OC3C(OC(=O)C=Cc4ccc(OC5OC(C)C(O)C(O)C5O)c(OC)c4)C(CO)OC(OC4(COC(=O)C=Cc5ccc(O)c(OC)c5)OC(CO)C(O)C4OC(=O)c4ccccc4)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(OC)c1.COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C=CC(=O)O)ccc1O.O=C(O)c1ccccc1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2OC(O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2(CO)OC(CO)C(O)C2O)O1

Other Identifiers

• CNP0319224

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

AD00132

Formula: C11H12O4

Smiles:

COC(=O)C=Cc1ccc(O)c(OC)c1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.18
AlogP:	1.59	Num_rotatable_bonds:	3
MolWt:	208.21	Num_heavy_atoms:	15
TPSA:	55.76	NumAromaticRings:	1

AD00175

Formula: C10H10O4

Smiles:

COc1cc(C=CC(=O)O)ccc1O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.5	Num_rotatable_bonds:	3
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1