GD000034

Name:

None

Formula:

C41H66O21S

Smiles:

C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OCCCS(=O)(=O)O)CCC[C@]4(C)[C@H]2CC[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3

Aglycone:

C=C1CC23CCC4C(C)(C(=O)OCCCS(=O)(=O)O)CCCC4(C)C2CCC1(O)C3

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3039994

AD00047

Formula: C23H36O6S

Smiles:

C=C1CC23CCC4C(C)(C(=O)OCCCS(=O)(=O)O)CCCC4(C)C2CCC1(O)C3

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.87
AlogP:	3.89	Num_rotatable_bonds:	5
MolWt:	440.6	Num_heavy_atoms:	30
TPSA:	100.9	NumAromaticRings:	0