GD126171

Name:

Kaempferol 3-Glucosyl-(1->6)-[Rhamnosyl-(1->3)-(2''-(E)-P-Coumaroylglucoside)]-7-Rhamnosyl-(1->3)-Rhamnosyl-(1->3)-(4''-(E)-P-Coumaroylrhamnoside)

Formula:

C69H82O36

Smiles:

CC1OC(OC2C(O)C(C)OC(OC3C(O)C(Oc4cc(O)c5c(=O)c(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC(=O)C=Cc6ccc(O)cc6)c(-c6ccc(O)cc6)oc5c4)OC(C)C3OC(=O)C=Cc3ccc(O)cc3)C2O)C(O)C(O)C1O

Aglycone:

O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC1OC(OC2C(O)C(C)OC(OC3C(O)C(C)OC(O)C3O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0313791

AD00021

Formula: C9H8O3

Smiles:

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

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.49	Num_rotatable_bonds:	2
MolWt:	164.16	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	1

AD00022

Formula: C15H10O6

Smiles:

O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

HBA:	6	RingCount:	3
HBD:	4	FractionCSP3:	0.0
AlogP:	2.28	Num_rotatable_bonds:	1
MolWt:	286.24	Num_heavy_atoms:	21
TPSA:	111.13	NumAromaticRings:	3