GD133240

Name:

Rhamnocitrin 3-Glucoside-4'-(3''-Dihydrophaseoylglucoside)

Formula:

C43H52O20

Smiles:

COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(OC4OC(CO)C(O)C(OC(=O)C=C(C)C=CC5(O)C6(C)COC5(C)CC(O)C6)C4O)cc3)oc2c1

Aglycone:

CC(C=CC1(O)C2(C)COC1(C)CC(O)C2)=CC(=O)O.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1

Sugarmoiety:

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

Other Identifiers

• CNP0127271

AD01882

Formula: C16H12O6

Smiles:

COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.06
AlogP:	2.59	Num_rotatable_bonds:	2
MolWt:	300.27	Num_heavy_atoms:	22
TPSA:	100.13	NumAromaticRings:	3

AD38933

Formula: C15H22O5

Smiles:

CC(C=CC1(O)C2(C)COC1(C)CC(O)C2)=CC(=O)O

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.67
AlogP:	1.25	Num_rotatable_bonds:	3
MolWt:	282.34	Num_heavy_atoms:	20
TPSA:	86.99	NumAromaticRings:	0