GD034517

Name:

CHIISANOSIDE

Formula:

C48H74O19

Smiles:

C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](C[C@@H]4[C@@H]5[C@H](C(=C)C)CC[C@@]5(C(=O)O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)CC[C@]42C)OC(=O)C[C@H](O)[C@]13C

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL507957
• CNP0221170

AD14188

Formula: C30H44O5

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.8
AlogP:	5.77	Num_rotatable_bonds:	3
MolWt:	484.68	Num_heavy_atoms:	35
TPSA:	83.83	NumAromaticRings:	0