GD031511

Name:

None

Formula:

C41H64O20

Smiles:

CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@@]3(OO)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CCC3C(CCC4CC(O)CCC43OO)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3792487

AD18370

Formula: C22H32O6

Smiles:

CC12CCC3C(CCC4CC(O)CCC43OO)C1(O)CCC2C1=CC(=O)OC1

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.86
AlogP:	2.83	Num_rotatable_bonds:	2
MolWt:	392.49	Num_heavy_atoms:	28
TPSA:	96.22	NumAromaticRings:	0