GD004547

Name:

QUADRANOSIDE II

Formula:

C36H58O11

Smiles:

C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@H]12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C12

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL502086
• CNP0236270

AD03956

Formula: C30H48O6

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C12

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.0	Num_rotatable_bonds:	3
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0