GD144435

Name:

2-[(6-{[6-(3,3-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C46H78O19

Smiles:

CC1OC(OC2C(CO)OC(OC3CC4CCC5C(CCC6(C)C5CC5OC(O)(CCC(C)(C)COC7OC(CO)C(O)C(O)C7O)C(C)C56)C4(C)CC3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC32C)OC1(O)CCC(C)(C)CO

Sugarmoiety:

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

Other Identifiers

• CNP0218627

AD58050

Formula: C28H48O5

Smiles:

CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC32C)OC1(O)CCC(C)(C)CO

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	1.0
AlogP:	4.11	Num_rotatable_bonds:	4
MolWt:	464.69	Num_heavy_atoms:	33
TPSA:	90.15	NumAromaticRings:	0