GD022586

Name:

{6-[(3,5-dihydroxy-2-{[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:

C44H70O14

Smiles:

CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C=C[C@]46OC[C@]7(CCC(C)(C)C[C@@H]47)[C@H](O)C[C@]65C)[C@@]3(C)CO)O[C@@H](C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1.COC(C)=O

Sugarmoiety:

CC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL3613723
• CHEMBL3613726
• CNP0191385

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD00452

Formula: C30H48O4

Smiles:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	5.1	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0