GD122876

Name:

4,5-bis(acetyloxy)-6-[(2-{3,16'-dihydroxy-5,7',9',13'-tetramethyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-3'-oneoxy}-4-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-2-methyloxan-3-yl acetate

Formula:

C55H82O26

Smiles:

CC(=O)OC1C(C)OC(OC2C(OC3CC(O)CC4=CCC5C6C(=O)C7OC8(OCC(C)C(OC9OC(C)C(O)C(O)C9O)C8O)C(C)C7C6(C)CCC5C43C)OCC(OC3OCC(O)C(O)C3O)C2O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(OC3OCC(O)C(O)C3O)C2O)C(OC(C)=O)C1OC(C)=O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0071805

AD49423

Formula: C27H40O7

Smiles:

CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

HBA:	7	RingCount:	6
HBD:	4	FractionCSP3:	0.89
AlogP:	1.81	Num_rotatable_bonds:	0
MolWt:	476.61	Num_heavy_atoms:	34
TPSA:	116.45	NumAromaticRings:	0