GD022198

Name:

NEPHELIOSIDE IV

Formula:

C48H80O17

Smiles:

CO[C@@H]1C[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]2(C)[C@@H]2CC=C3[C@@H]4CC(C)(C)CC[C@@]4(CO)CC[C@@]3(C)[C@@]21C

Aglycone:

COC1CC2C(C)(C)C(O)CCC2(C)C2CC=C3C4CC(C)(C)CCC4(CO)CCC3(C)C12C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL448391
• CNP0354030

AD15083

Formula: C31H52O3

Smiles:

COC1CC2C(C)(C)C(O)CCC2(C)C2CC=C3C4CC(C)(C)CCC4(CO)CCC3(C)C12C

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.94
AlogP:	6.77	Num_rotatable_bonds:	2
MolWt:	472.75	Num_heavy_atoms:	34
TPSA:	49.69	NumAromaticRings:	0