GD015368

Name:

SARASINOSIDE I2

Formula:

C63H102O28N2

Smiles:

CO[C@@H]1C[C@H]([C@H](C)CC(=O)C=C(C)C)[C@]2(C)CC[C@]3(O)C(=C12)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2OC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]2NC(C)=O)CC[C@]13C

Aglycone:

COC1CC(C(C)CC(=O)C=C(C)C)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(O)CCC13C

Sugarmoiety:

CC(=O)NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3NC(C)=O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL508153
• CHEMBL525032

AD11178

Formula: C30H48O4

Smiles:

COC1CC(C(C)CC(=O)C=C(C)C)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(O)CCC13C

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.83
AlogP:	6.01	Num_rotatable_bonds:	5
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0