GD122717

Name:

Hoodigoside S

Formula:

C72H118O31

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)OC8OC(COC9OC(COC%10OC(CO)C(O)C(O)C%10O)C(O)C(O)C9O)C(O)C(O)C8O)CCC76O)C5)CC4OC)CC3OC)CC2OC)CC1OC

Aglycone:

CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C.CC=C(C)C(=O)O

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0424349

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

AD46291

Formula: C21H34O3

Smiles:

CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.9
AlogP:	3.42	Num_rotatable_bonds:	1
MolWt:	334.5	Num_heavy_atoms:	24
TPSA:	60.69	NumAromaticRings:	0