GD125620

Name:

arboreaside c

Formula:

C64H104O30

Smiles:

CC1OC(OC2C(COC3OCC(O)C(O)C3O)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(COC3OCC(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(OC3C(CO)OC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0448029

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