GD014966

Name:

None

Formula:

C40H68O17S

Smiles:

CO[C@@H]1CO[C@H](O[C@H]2[C@H](OC[C@H](C=C[C@H](C)[C@@H]3C[C@H](O)[C@H]4[C@@]3(C)CC[C@H]3[C@@]4(O)C[C@H](OS(=O)(=O)O)[C@@H]4[C@H](O)[C@H](O)CC[C@]43C)C(C)C)O[C@@H](CO)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:

CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)CO

Sugarmoiety:

COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1O

Other Identifiers

• CHEMBL1208132
• CNP0444329

AD10950

Formula: C28H48O9S

Smiles:

CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)CO

HBA:	9	RingCount:	4
HBD:	6	FractionCSP3:	0.93
AlogP:	2.32	Num_rotatable_bonds:	7
MolWt:	560.75	Num_heavy_atoms:	38
TPSA:	164.75	NumAromaticRings:	0