GD028068

Name:

CLETHROIDOSIDE D

Formula:

C52H84O21

Smiles:

CC1(C)CC[C@@]23CO[C@]4(CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]4(C)CC2=O)[C@H]3C1

Aglycone:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1927849
• CNP0085079

AD12947

Formula: C30H48O3

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.97
AlogP:	6.56	Num_rotatable_bonds:	0
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	46.53	NumAromaticRings:	0