GD134767

Name:

2-({6-[(6-{[5,9-dihydroxy-15-(3-hydroxy-5,6-dimethylhept-5-en-2-yl)-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C46H76O20

Smiles:

CC(C)=C(C)CC(O)C(C)C1CCC2C3C4OC4C4(O)CC(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)C5O)CC(O)C4(C)C3CCC12C

Aglycone:

CC(C)=C(C)CC(O)C(C)C1CCC2C3C4OC4C4(O)CC(O)CC(O)C4(C)C3CCC12C

Sugarmoiety:

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

Other Identifiers

• CNP0348323

AD54518

Formula: C28H46O5

Smiles:

CC(C)=C(C)CC(O)C(C)C1CCC2C3C4OC4C4(O)CC(O)CC(O)C4(C)C3CCC12C

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	3.82	Num_rotatable_bonds:	4
MolWt:	462.67	Num_heavy_atoms:	33
TPSA:	93.45	NumAromaticRings:	0