GD004701

Name:

STELLATOSIDE B

Formula:

C47H74O19

Smiles:

CC(C)(O)[C@@H]1[C@@H]2C[C@@]3(CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@]54C)[C@H]13)C(=O)O2

Aglycone:

CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL2047218
• CNP0426333

AD04069

Formula: C30H48O4

Smiles:

CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.74	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0