GD139424

Name:

wallichiiside f

Formula:

C34H52O20

Smiles:

CC(=O)OC1(C)CC(O)C2C=COC(OC3OC(COC4CC5C(O)CC(C)(OC(C)=O)C5C(OC5OC(CO)C(O)C(O)C5O)O4)C(O)C(O)C3O)C21

Aglycone:

CC(=O)OC1(C)CC(O)C2C=COC(O)C21.COC1CC2C(O)CC(C)(OC(C)=O)C2C(O)O1

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0461154

AD16541

Formula: C11H16O5

Smiles:

CC(=O)OC1(C)CC(O)C2C=COC(O)C21

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.73
AlogP:	0.17	Num_rotatable_bonds:	1
MolWt:	228.24	Num_heavy_atoms:	16
TPSA:	75.99	NumAromaticRings:	0

AD56220

Formula: C12H20O6

Smiles:

COC1CC2C(O)CC(C)(OC(C)=O)C2C(O)O1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.92
AlogP:	0.02	Num_rotatable_bonds:	2
MolWt:	260.29	Num_heavy_atoms:	18
TPSA:	85.22	NumAromaticRings:	0