GD025801

Name:

None

Formula:

C54H84O22

Smiles:

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

Aglycone:

CC(=O)OCC12C(OC(C)=O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2OC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4089501

AD05420

Formula: C36H56O7

Smiles:

CC(=O)OCC12C(OC(C)=O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2OC(C)=O

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.86
AlogP:	6.8	Num_rotatable_bonds:	4
MolWt:	600.84	Num_heavy_atoms:	43
TPSA:	99.13	NumAromaticRings:	0