GD114263

Name:

[3-hydroxy-6-({6,10,10,14,15-pentamethyl-21-methylidene-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl}oxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]methyl acetate

Formula:

C49H74O19

Smiles:

C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(OC7OC(COC(C)=O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5C5OC5C4(OC2=O)C3C1

Aglycone:

C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1.COC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0323190

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

AD44942

Formula: C29H42O4

Smiles:

C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1

HBA:	4	RingCount:	7
HBD:	1	FractionCSP3:	0.9
AlogP:	5.43	Num_rotatable_bonds:	0
MolWt:	454.65	Num_heavy_atoms:	33
TPSA:	59.06	NumAromaticRings:	0