GD021746

Name:

None

Formula:

C44H64O17

Smiles:

CC(=O)O[C@@H]1C[C@@](C)(C=O)C[C@@H]2C3=CC(=O)[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]12C

Aglycone:

CC(=O)OC1CC(C)(C=O)CC2C3=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12C

Sugarmoiety:

O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3808704

AD14818

Formula: C32H48O5

Smiles:

CC(=O)OC1CC(C)(C=O)CC2C3=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12C

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.84
AlogP:	6.07	Num_rotatable_bonds:	2
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	80.67	NumAromaticRings:	0