GD002878

Name:

WITHALONGOLIDE L

Formula:

C33H48O11

Smiles:

CC1=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)C5=C(C(=O)C[C@H](O)C5)[C@H]4CC[C@@]23C)OC1=O

Aglycone:

CC1=C(CO)CC(C(C)C2CCC3C4CC(O)C5=C(C(=O)CC(O)C5)C4CCC23C)OC1=O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1934464
• CNP0220759

AD02689

Formula: C27H38O6

Smiles:

CC1=C(CO)CC(C(C)C2CCC3C4CC(O)C5=C(C(=O)CC(O)C5)C4CCC23C)OC1=O

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.78
AlogP:	3.09	Num_rotatable_bonds:	3
MolWt:	458.6	Num_heavy_atoms:	33
TPSA:	104.06	NumAromaticRings:	0