GD002137

Name:

11-Dehydroxymogroside Iii

Formula:

C48H82O18

Smiles:

C[C@H](CC[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@@]3(C)CC[C@]12C

Aglycone:

CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL227427
• CNP0250327

AD02070

Formula: C30H52O3

Smiles:

CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.93
AlogP:	6.5	Num_rotatable_bonds:	5
MolWt:	460.74	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0