GD129719

Name:

2-{[5-hydroxy-2-({16-hydroxy-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-14-yl}oxy)-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C51H84O22

Smiles:

C=C(CCC1(OC)OC2CC3C4CCC5CC(O)CC(OC6OC(C)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1(OC)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(C)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0314646

AD45877

Formula: C28H46O5

Smiles:

C=C(CO)CCC1(OC)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.29	Num_rotatable_bonds:	5
MolWt:	462.67	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0