GD115056

Name:

16-{[3-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(5,5-dimethyloxolan-2-yl)-5,10-dihydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-8-one

Formula:

C60H96O29

Smiles:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(C%10CCC(C)(C)O%10)C8(O)CCC9(C)C7CCC6C5(C)C)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O

Aglycone:

CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0332691

AD03787

Formula: C30H46O6

Smiles:

CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	4.29	Num_rotatable_bonds:	1
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	96.22	NumAromaticRings:	0