GD000537

Name:

MONILOSIDE H

Formula:

C47H80O19

Smiles:

CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CO[C@H](O[C@@H]3CO[C@H](OCC[C@H](C=C[C@H](C)[C@@H]4[C@H](O)[C@H](O)[C@]5(C)[C@]6(O)C[C@H](O)[C@@H]7[C@H](O)[C@H](O)CC[C@@]7(C)[C@H]6CC[C@]45C)C(C)C)[C@H](O)[C@H]3O)[C@H](O)[C@H]2OC)OC[C@H]1O

Aglycone:

CC(C)C(C=CC(C)C1C(O)C(O)C2(C)C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)CCO

Sugarmoiety:

COC1C(O)COC(OC2COC(OC3COC(O)C(O)C3O)C(O)C2OC)C1O

Other Identifiers

• CHEMBL503670

AD00590

Formula: C30H52O7

Smiles:

CC(C)C(C=CC(C)C1C(O)C(O)C2(C)C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)CCO

HBA:	7	RingCount:	4
HBD:	7	FractionCSP3:	0.93
AlogP:	2.24	Num_rotatable_bonds:	6
MolWt:	524.74	Num_heavy_atoms:	37
TPSA:	141.61	NumAromaticRings:	0