GD024533

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@@]4(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)O[C@@H]3[C@H]3[C@]5(C)C[C@@H](c6ccoc6)OC(=O)[C@H]5CC[C@]34C)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=CC4OC3C3C5OC(=O)C(O)(C43)C3(C)CCC4C(=O)OC(c6ccoc6)CC4(C)C53)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

• CHEMBL4164529

AD16360

Formula: C40H44O12

Smiles:

CC12CC(C3=CC4OC3C3C5OC(=O)C(O)(C43)C3(C)CCC4C(=O)OC(c6ccoc6)CC4(C)C53)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