GD117324

Name:

2-({2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3',15'-dioloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C55H90O29

Smiles:

CC1C2C(OC13CCCCO3)C(O)C1C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC4(C)C3CCC12C

Aglycone:

CC1C2C(OC13CCCCO3)C(O)C1C3CCC4CC(O)C(O)CC4(C)C3CCC12C

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0091079

AD46762

Formula: C26H42O5

Smiles:

CC1C2C(OC13CCCCO3)C(O)C1C3CCC4CC(O)C(O)CC4(C)C3CCC12C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	3.49	Num_rotatable_bonds:	0
MolWt:	434.62	Num_heavy_atoms:	31
TPSA:	79.15	NumAromaticRings:	0