Glycoside

GD116143
Name:
16-hydroxy-5,5,9,13-tetramethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxatetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-14-oneFormula:
C25H40O9Smiles:
CC12CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(OC1=O)C2OAglycone:
CC12CCC3C4(C)CCC(O)C(C)(C)C4CCC3(OC1=O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.96 |
AlogP: | 0.48 | Num_rotatable_bonds: | 3 |
MolWt: | 484.59 | Num_heavy_atoms: | 34 |
TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46074
Formula: C19H30O4
Smiles:
CC12CCC3C4(C)CCC(O)C(C)(C)C4CCC3(OC1=O)C2OHBA: | 4 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.95 |
AlogP: | 2.66 | Num_rotatable_bonds: | 0 |
MolWt: | 322.45 | Num_heavy_atoms: | 23 |
TPSA: | 66.76 | NumAromaticRings: | 0 |