GD130965

Name:

3Beta-O-{Beta-D-Xylopyranosyl-(1-2)-Beta-D-Glucopyranosyl-(1-3)-Beta-D-Gl+

Formula:

C77H126O41

Smiles:

CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0177401

AD00086

Formula: C30H48O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0