GD133121

Name:

Hoodigoside L

Formula:

C58H94O26

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C(C(C)OC6OC(COC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)CCC54O)C3)CC2OC)C(O)C1OC

Aglycone:

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

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0236532

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