GD148090

Name:

Woodwardinoside B

Formula:

C51H82O22

Smiles:

COC(C=CC(C)C)C(O)C(O)C(O)C=CCC1=CC(O)C(C(C)C=CC=C(C)C=CCC(C)(C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(C)C1=O

Aglycone:

C=CC(C)C.C=CCC1=CC(O)C(C(C)C=CC=C(C)C=CCC(C)(C)O)C(C)C1=O

Sugarmoiety:

COC(O)C(O)C(O)C(O)O.OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0265831

AD00557

Formula: C5H10

Smiles:

C=CC(C)C

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.6
AlogP:	1.83	Num_rotatable_bonds:	1
MolWt:	70.13	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0

AD59274

Formula: C23H34O3

Smiles:

C=CCC1=CC(O)C(C(C)C=CC=C(C)C=CCC(C)(C)O)C(C)C1=O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.52
AlogP:	4.54	Num_rotatable_bonds:	8
MolWt:	358.52	Num_heavy_atoms:	26
TPSA:	57.53	NumAromaticRings:	0