GD004551

Name:

CYCLAMIN

Formula:

C58H94O27

Smiles:

CC1(C)[C@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3CC[C@]45OC[C@]6(CC[C@@](C)(C=O)C[C@@H]46)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12

Aglycone:

CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL373379
• CNP0239089

AD01925

Formula: C30H48O4

Smiles:

CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.53	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0