GD116598

Name:

16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-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-10-one

Formula:

C45H72O20

Smiles:

C=C(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0316037

AD46336

Formula: C27H42O5

Smiles:

C=C(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.89
AlogP:	3.85	Num_rotatable_bonds:	4
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	86.99	NumAromaticRings:	0