GD134322

Name:

2-{[4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-14',15'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H70O19

Smiles:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C(O)C5(C)C4CCC3(C)C1C2C

Aglycone:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0402164

AD54347

Formula: C27H40O5

Smiles:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	3.58	Num_rotatable_bonds:	0
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0