GD146904

Name:

9-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-25-one

Formula:

C46H72O16

Smiles:

CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C4OC4C46OC(=O)C7(CCC(C)(C)CC74)CCC56C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Aglycone:

CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0129035

AD05043

Formula: C30H46O4

Smiles:

CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1

HBA:	4	RingCount:	7
HBD:	1	FractionCSP3:	0.97
AlogP:	5.9	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	59.06	NumAromaticRings:	0