GD016321

Name:

None

Formula:

C50H76O21

Smiles:

CC(=O)O[C@@H]1C[C@@](C)(C(=O)O)C[C@@H]2C3=CC(=O)[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[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](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]54C)[C@@]3(C)CC[C@]12C

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4299579
• CHEMBL4299585

AD02211

Formula: C32H48O6

Smiles:

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

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.84
AlogP:	5.95	Num_rotatable_bonds:	2
MolWt:	528.73	Num_heavy_atoms:	38
TPSA:	100.9	NumAromaticRings:	0