GD006603

Name:

WITHALONGOLIDE H

Formula:

C40H58O15

Smiles:

CC1=C(CO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4C[C@@H]5O[C@]56[C@H](O)C=CC(=O)[C@@]6(C)[C@H]4CC[C@@]23C)C1

Aglycone:

CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC23C)C1

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1934460
• CNP0181001

AD01113

Formula: C28H38O6

Smiles:

CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC23C)C1

HBA:	6	RingCount:	6
HBD:	2	FractionCSP3:	0.79
AlogP:	3.35	Num_rotatable_bonds:	3
MolWt:	470.61	Num_heavy_atoms:	34
TPSA:	96.36	NumAromaticRings:	0