GD011622

Name:

STROPHANTHIN

Formula:

C42H64O19

Smiles:

CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL447086
• CNP0128498

AD00229

Formula: C23H32O6

Smiles:

CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.83
AlogP:	1.9	Num_rotatable_bonds:	2
MolWt:	404.5	Num_heavy_atoms:	29
TPSA:	104.06	NumAromaticRings:	0