GD007490

Name:

ARDISIANOSIDE J

Formula:

C53H84O23

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC[C@]57OC(=O)[C@]8(CC[C@@](C)(C=O)C[C@@H]85)[C@H](O)C[C@]76C)C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C=O)CCC23C(=O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL374984
• CNP0301422

AD06098

Formula: C30H46O5

Smiles:

CC1(C=O)CCC23C(=O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.06	Num_rotatable_bonds:	1
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	83.83	NumAromaticRings:	0