GD142802

Name:

2-{[6-({6-[(4,5-dihydroxy-2-{[8-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}-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C58H96O27

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2(O)C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2(O)C1C

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0363263

AD47761

Formula: C28H46O5

Smiles:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2(O)C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.44	Num_rotatable_bonds:	5
MolWt:	462.67	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0