GD138698

Name:

2-({5-hydroxy-2-[7'-(hydroxymethyl)-9',13'-dimethyl-5-methylidene-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C49H76O23

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2CO)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2CO)C(O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0319847

AD20183

Formula: C27H40O7

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2CO)C(O)C1O

HBA:	7	RingCount:	6
HBD:	5	FractionCSP3:	0.85
AlogP:	1.52	Num_rotatable_bonds:	1
MolWt:	476.61	Num_heavy_atoms:	34
TPSA:	119.61	NumAromaticRings:	0