GD121625

Name:

2-{[4-hydroxy-6-(hydroxymethyl)-2-{[3-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]icosa-6,18-dien-16-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C52H84O22

Smiles:

COC1C2OC(CCC(C)COC3OC(CO)C(O)C(O)C3O)=C(C)C2C2(C)CCC3C(CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC43C)C12

Aglycone:

COC1C2OC(CCC(C)CO)=C(C)C2C2(C)CCC3C(CC=C4CC(O)CCC43C)C12

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

• CNP0323001

AD48969

Formula: C28H44O4

Smiles:

COC1C2OC(CCC(C)CO)=C(C)C2C2(C)CCC3C(CC=C4CC(O)CCC43C)C12

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.86
AlogP:	5.24	Num_rotatable_bonds:	5
MolWt:	444.66	Num_heavy_atoms:	32
TPSA:	58.92	NumAromaticRings:	0