GD021112

Name:

MONILOSIDE I

Formula:

C45H78O19

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](CC[C@H](C)[C@@H]4[C@H](O)[C@H](O)[C@H]5[C@@]4(C)CC[C@H]4[C@@]5(O)C[C@H](O)[C@@H]5[C@H](O)[C@H](O)CC[C@]54C)C(C)C)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O

Aglycone:

CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O

Sugarmoiety:

COC1C(O)COC(OC2COC(OC3COC(O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

• CHEMBL446862
• CNP0433258

AD00819

Formula: C29H52O7

Smiles:

CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O

HBA:	7	RingCount:	4
HBD:	7	FractionCSP3:	1.0
AlogP:	2.08	Num_rotatable_bonds:	7
MolWt:	512.73	Num_heavy_atoms:	36
TPSA:	141.61	NumAromaticRings:	0