GD120727

Name:

4-(acetyloxy)-6-[(4,5-dihydroxy-2-{7',9',13'-trimethyl-5-methylidene-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}oxan-3-yl)oxy]-5-hydroxy-2-methyloxan-3-yl acetate

Formula:

C48H72O20

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC7OC(C)C(OC(C)=O)C(OC(C)=O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0266575

AD01971

Formula: C27H40O6

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.85
AlogP:	2.55	Num_rotatable_bonds:	0
MolWt:	460.61	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0