GD023575

Name:

None

Formula:

C52H64O22

Smiles:

C[C@@]12C[C@H](C3=C[C@@H]4O[C@H]3[C@@H]3[C@H]4[C@@H]4OC(=O)[C@@]3(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@]3(C)CC[C@@H]5C(=O)O[C@H](c6ccoc6)C[C@@]5(C)[C@H]43)OC(=O)[C@H]1CC[C@]1(C)[C@H]2[C@@H]2C=C[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)O2

Aglycone:

CC12CC(C3=CC4OC3C3C4C4OC(=O)C3(O)C3(C)CCC5C(=O)OC(c6ccoc6)CC5(C)C43)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4175160

AD15841

Formula: C40H44O12

Smiles:

CC12CC(C3=CC4OC3C3C4C4OC(=O)C3(O)C3(C)CCC5C(=O)OC(c6ccoc6)CC5(C)C43)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2

HBA:	12	RingCount:	13
HBD:	2	FractionCSP3:	0.7
AlogP:	3.5	Num_rotatable_bonds:	2
MolWt:	716.78	Num_heavy_atoms:	52
TPSA:	168.03	NumAromaticRings:	1