GD008535

Name:

ACACIOSIDE B

Formula:

C57H83O19N

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]1O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)[C@H](OC(=O)C=Cc5ccccc5)C[C@@]4(C(=O)O)[C@H](O)C[C@]23C)C1(C)C

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:

CC(=O)NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL446226
• CHEMBL506714

AD06809

Formula: C39H54O6

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.69
AlogP:	7.44	Num_rotatable_bonds:	4
MolWt:	618.86	Num_heavy_atoms:	45
TPSA:	104.06	NumAromaticRings:	1