GD141455

Name:

4,5-bis(acetyloxy)-2-methyl-6-{[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxy}oxan-3-yl acetate

Formula:

C54H84O20

Smiles:

CC(=O)OC1C(C)OC(OC2(C)CC(C=C(C)C)OC34CC5(CO3)C(CCC3C6(C)CCC(OC7OC(COC8OC(C)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC35C)C24)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Sugarmoiety:

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0165283

AD04367

Formula: C30H48O4

Smiles:

CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.86	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	58.92	NumAromaticRings:	0