GD116144

Name:

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

Formula:

C51H84O23

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

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

Other Identifiers

• CNP0100290

AD16454

Formula: C27H44O3

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	5.7	Num_rotatable_bonds:	4
MolWt:	416.65	Num_heavy_atoms:	30
TPSA:	49.69	NumAromaticRings:	0