GD150881

Name:

delphinidin 3-o-[6-o-(4-o-(4-o-(beta-d-glucopyranosyl)-trans-p-coumaroyl)-alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside]-5-o-[beta-d-glucopyranoside]

Formula:

C48H59O28

Smiles:

CC1OC(OCC2OC(OC3=Cc4c(cc(O)cc4OC4OC(CO)C(O)C(O)C4O)OC3c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OC(=O)C=Cc1ccc(OC2OC(C[OH2+])C(O)C(O)C2O)cc1

Aglycone:

O=C(O)C=Cc1ccc(O)cc1.OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0471746

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

AD45104

Formula: C15H12O7

Smiles:

OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1

HBA:	7	RingCount:	3
HBD:	6	FractionCSP3:	0.07
AlogP:	2.25	Num_rotatable_bonds:	1
MolWt:	304.25	Num_heavy_atoms:	22
TPSA:	130.61	NumAromaticRings:	2