GD119352

Name:

None

Formula:

C68H114O34

Smiles:

C=CCCC=CC=CC=CCC(O)C(O)C(O)C=CC=CC(O)CC(O)C(O)C1OC(O)(CC(O)C(O)C(=O)CCC2OC(CC(O)CC(C)C=CCC(O)C(O)C(O)C(O)C(=C)C(C)CC3OC(C(O)CC(O)C(O)C(O)C(O)C(O)C(O)CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

C=CC(C)C.C=CCCC=CC=CC=CCC(O)C(O)C(O)C=CC=CC(O)CC(O)CO.CC=CC(C)CC(C)O.CCC(=O)C(O)C(C)O

Sugarmoiety:

OC(O)C(O)C(O)C(O)O.OC1OC(O)(O)C(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC(O)C(O)C(O)C(O)C(O)C(O)CC(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0428151

AD00557

Formula: C5H10

Smiles:

C=CC(C)C

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.6
AlogP:	1.83	Num_rotatable_bonds:	1
MolWt:	70.13	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0

AD47799

Formula: C22H34O6

Smiles:

C=CCCC=CC=CC=CCC(O)C(O)C(O)C=CC=CC(O)CC(O)CO

HBA:	6	RingCount:	0
HBD:	6	FractionCSP3:	0.45
AlogP:	1.31	Num_rotatable_bonds:	15
MolWt:	394.51	Num_heavy_atoms:	28
TPSA:	121.38	NumAromaticRings:	0

AD47800

Formula: C8H16O

Smiles:

CC=CC(C)CC(C)O

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	1.97	Num_rotatable_bonds:	3
MolWt:	128.22	Num_heavy_atoms:	9
TPSA:	20.23	NumAromaticRings:	0

AD47801

Formula: C6H12O3

Smiles:

CCC(=O)C(O)C(C)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.83
AlogP:	-0.29	Num_rotatable_bonds:	3
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	57.53	NumAromaticRings:	0