GD005800

Name:

None

Formula:

C41H72O18S

Smiles:

CO[C@@H]1CO[C@H](O[C@H]2[C@H](OCC[C@H](CC[C@H](C)[C@@H]3[C@H](O)[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)OC[C@@H](O)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:

CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1208167
• CNP0440591

AD04873

Formula: C29H52O10S

Smiles:

CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O

HBA:	10	RingCount:	4
HBD:	7	FractionCSP3:	1.0
AlogP:	1.9	Num_rotatable_bonds:	9
MolWt:	592.79	Num_heavy_atoms:	40
TPSA:	184.98	NumAromaticRings:	0