GD117684

Name:

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

Formula:

C51H82O21

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

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

Other Identifiers

• CNP0113392

AD01070

Formula: C27H42O3

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.85
AlogP:	5.62	Num_rotatable_bonds:	4
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	49.69	NumAromaticRings:	0