GD028444

Name:

6-acetyl-8-hydroxy-14-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl 2-methylbut-2-enoate

Formula:

C46H72O18

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H]2[C@]3(CC[C@@H]4C[C@@H](O[C@@H]5C[C@H](OC)[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](OC)[C@H]6O)[C@H](C)O5)CC[C@@]24C)O[C@]32CC[C@H](C(C)=O)[C@@]2(C)[C@H]1O

Aglycone:

CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

• CHEMBL3360250
• CNP0418578

AD18579

Formula: C26H38O6

Smiles:

CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.85
AlogP:	3.33	Num_rotatable_bonds:	3
MolWt:	446.58	Num_heavy_atoms:	32
TPSA:	96.36	NumAromaticRings:	0