GD139112

Name:

3-O-[Beta-D-Galactopyranosyl(1-2)]-Alpha-L-Arabinofuranosyl(1-3)-Beta-D-M+

Formula:

C66H102O27

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(OC(C)=O)C3(CO)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)OC)C(O)C(OC8OC(CO)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1OC(=O)C(C)=CC

Aglycone:

CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO.CC=C(C)C(=O)O.CC=C(C)C(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1O

Other Identifiers

• CNP0199289

AD00342

Formula: C5H8O2

Smiles:

CC=C(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.4
AlogP:	1.04	Num_rotatable_bonds:	1
MolWt:	100.12	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD05891

Formula: C32H52O6

Smiles:

CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.91
AlogP:	4.62	Num_rotatable_bonds:	2
MolWt:	532.76	Num_heavy_atoms:	38
TPSA:	107.22	NumAromaticRings:	0