GD015084

Name:

astrosterioside a

Formula:

C61H98O31S

Smiles:

CC(=CC(=O)CC(C)C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@]4(C)C3=CC[C@]12C

Aglycone:

CC(=CC(=O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(OC4OC(CO)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3040789
• CNP0474368

AD11010

Formula: C27H42O6S

Smiles:

CC(=CC(=O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.81
AlogP:	5.29	Num_rotatable_bonds:	6
MolWt:	494.69	Num_heavy_atoms:	34
TPSA:	100.9	NumAromaticRings:	0