GD114858

Name:

3-O-(Beta-D-Glucopyranosyl-(1-6)-Beta-D-Glucopyranosyl)-28-O-(Alpha-L-Rha+

Formula:

C69H112O37

Smiles:

CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(COC%10OC(CO)C(O)C(O)C%10O)C(O)C(O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6O)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0039674

AD03100

Formula: C30H48O7

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

HBA:	7	RingCount:	5
HBD:	6	FractionCSP3:	0.9
AlogP:	3.12	Num_rotatable_bonds:	2
MolWt:	520.71	Num_heavy_atoms:	37
TPSA:	138.45	NumAromaticRings:	0