GD158124

Name:

Adinoside D

Formula:

C33H44O20

Smiles:

C=CC1C(OC2OC(COC3CC4C(=COC(OC5OC(CO)C(O)C(O)C5O)C4C=C)C(=O)O3)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O

Aglycone:

C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)O.C=CC1C(O)OC=C2C(=O)OC(OC)CC21

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0133353

AD23428

Formula: C11H14O6

Smiles:

C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)O

HBA:	6	RingCount:	1
HBD:	2	FractionCSP3:	0.45
AlogP:	0.28	Num_rotatable_bonds:	4
MolWt:	242.23	Num_heavy_atoms:	17
TPSA:	93.06	NumAromaticRings:	0

AD54559

Formula: C11H14O5

Smiles:

C=CC1C(O)OC=C2C(=O)OC(OC)CC21

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.55
AlogP:	0.56	Num_rotatable_bonds:	2
MolWt:	226.23	Num_heavy_atoms:	16
TPSA:	64.99	NumAromaticRings:	0