GD149578

Name:

methyl 3-ethylidene-4-(2-{4-[2-({6-[({2-[3-formyl-5-(methoxycarbonyl)-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)ethyl]phenoxy}-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:

C42H54O22

Smiles:

CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC2OC(COC(=O)CC3C(C(=O)OC)=COC(C)C3C=O)C(O)C(O)C2O)cc1

Aglycone:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCO)cc1.COC(=O)CC1C(C(=O)OC)=COC(C)C1C=O

Sugarmoiety:

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

Other Identifiers

• CNP0164287

AD07960

Formula: C19H22O7

Smiles:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCO)cc1

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.37
AlogP:	1.48	Num_rotatable_bonds:	6
MolWt:	362.38	Num_heavy_atoms:	26
TPSA:	102.29	NumAromaticRings:	1

AD59186

Formula: C12H16O6

Smiles:

COC(=O)CC1C(C(=O)OC)=COC(C)C1C=O

HBA:	6	RingCount:	1
HBD:	0	FractionCSP3:	0.58
AlogP:	0.46	Num_rotatable_bonds:	4
MolWt:	256.25	Num_heavy_atoms:	18
TPSA:	78.9	NumAromaticRings:	0