GD120301

Name:

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

Formula:

C53H86O22

Smiles:

COC1(C)C(=CCCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C21

Aglycone:

COC1(C)C(=CCCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(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

• CNP0146039

AD48312

Formula: C29H46O4

Smiles:

COC1(C)C(=CCCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.86
AlogP:	5.63	Num_rotatable_bonds:	5
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	58.92	NumAromaticRings:	0