Glycoside

GD134014
Name:
7',9',13'-trimethyl-5-methylidene-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-14'-yl acetateFormula:
C35H52O10Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(OC(C)=O)C5(C)C4CCC3(C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC(C)=O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.86 |
AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
MolWt: | 632.79 | Num_heavy_atoms: | 45 |
TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54216
Formula: C29H42O5
Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC(C)=O)C5(C)C4CCC3(C)C1C2CHBA: | 5 | RingCount: | 6 |
HBD: | 1 | FractionCSP3: | 0.83 |
AlogP: | 5.18 | Num_rotatable_bonds: | 1 |
MolWt: | 470.65 | Num_heavy_atoms: | 34 |
TPSA: | 64.99 | NumAromaticRings: | 0 |