GD152593

Name:

2-[(4-hydroxy-2-{[15-hydroxy-7-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butylidene)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C52H86O23

Smiles:

COC1(C)C(=CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C21

Aglycone:

COC1(C)C(=CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C21

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0171044

AD60746

Formula: C28H46O5

Smiles:

COC1(C)C(=CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C21

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.29	Num_rotatable_bonds:	4
MolWt:	462.67	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0