GD127856

Name:

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

Formula:

C52H80O20

Smiles:

CC(=O)OC1C(OC2C(OC3C(O)COC(OC4CCC5(C)C(CCC6(C)C5CCC5C7C(C)(O)CC(C=C(C)C)OC78CC56CO8)C4(C)C)C3OC(C)=O)OC(CO)C(O)C2OC(C)=O)OCC(O)C1O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(OC2C(OC3C(O)COC(O)C3OC(C)=O)OC(CO)C(O)C2OC(C)=O)OCC(O)C1O

Other Identifiers

• CNP0271809

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