GD037563

Name:

None

Formula:

C56H90O26

Smiles:

CC(=O)OC[C@]12[C@H](O)[C@@H](OC(C)=O)C(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)[C@H](O)[C@H]2O

Aglycone:

CC(=O)OCC12C(CC(C)(C)C(OC(C)=O)C1O)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4850395

AD23646

Formula: C34H54O8

Smiles:

CC(=O)OCC12C(CC(C)(C)C(OC(C)=O)C1O)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

HBA:	8	RingCount:	5
HBD:	4	FractionCSP3:	0.88
AlogP:	4.17	Num_rotatable_bonds:	3
MolWt:	590.8	Num_heavy_atoms:	42
TPSA:	133.52	NumAromaticRings:	0