GD120773

Name:

16-({5-[(4-{[3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-methoxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-15-one

Formula:

C62H100O32

Smiles:

C=C(CCC1(OC)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C7O)C(O)C6O)C(=O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1(OC)OC2CC3C4CCC5CC(O)C(=O)CC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(OC3C(OC4C(O)C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C4O)OCC(O)C3O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0331518

AD48557

Formula: C28H44O5

Smiles:

C=C(CO)CCC1(OC)OC2CC3C4CCC5CC(O)C(=O)CC5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.89
AlogP:	4.5	Num_rotatable_bonds:	5
MolWt:	460.66	Num_heavy_atoms:	33
TPSA:	75.99	NumAromaticRings:	0