GD108814

Name:

3-{[5-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl]oxy}-3-oxopropanoic acid

Formula:

C29H46O11

Smiles:

C=C1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C\COC(=O)CC(=O)O

Aglycone:

C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOC(=O)CC(=O)O

Sugarmoiety:

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

Other Identifiers

• ZINC000067913428
• CNP0348673

AD44488

Formula: C23H36O6

Smiles:

C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOC(=O)CC(=O)O

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.74
AlogP:	3.47	Num_rotatable_bonds:	7
MolWt:	408.54	Num_heavy_atoms:	29
TPSA:	104.06	NumAromaticRings:	0