GD117704

Name:

2-({2-[(4,5-dihydroxy-6-{[15-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C57H94O29

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0324073

AD14283

Formula: C28H46O5

Smiles:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(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