GD137622

Name:

4,5-dihydroxy-6-[(5-hydroxy-2-{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'-ene-3,16'-dioloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-2-methyloxan-3-yl acetate

Formula:

C51H80O23

Smiles:

CC(=O)OC1C(C)OC(OC2C(OC3CC(O)CC4=CCC5C6CC7OC8(OCC(C)C(OC9OC(C)C(O)C(O)C9O)C8O)C(C)C7C6(C)CCC5C43C)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:

CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0261536

AD46960

Formula: C27H42O6

Smiles:

CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.63	Num_rotatable_bonds:	0
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0