GD133404

Name:

2-{4-[16-({5-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl]-2-methylbutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C58H98O28

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(COC8OC(C)C(O)C(O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0323273

AD13526

Formula: C28H48O4

Smiles:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	1.0
AlogP:	5.4	Num_rotatable_bonds:	5
MolWt:	448.69	Num_heavy_atoms:	32
TPSA:	58.92	NumAromaticRings:	0