GD144742

Name:

2-{4-[14-({3-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-16-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylidenebutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C55H88O26

Smiles:

C=C(CCC1(OC)OC2CC3C4CC=C5CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(OC7OCC(O)(CO)C7O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0192076

AD47925

Formula: C28H44O5

Smiles:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.86
AlogP:	4.21	Num_rotatable_bonds:	5
MolWt:	460.66	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0