GD027807

Name:

Adigal

Formula:

C49H76O19

Smiles:

CC(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:

CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL3391717
• CNP0150344

AD01378

Formula: C23H34O4

Smiles:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	3.6	Num_rotatable_bonds:	1
MolWt:	374.52	Num_heavy_atoms:	27
TPSA:	66.76	NumAromaticRings:	0