Glycoside

GD126496
Name:
5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxane-3,4-diolFormula:
C38H60O12Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 8 |
HBD: | 6 | FractionCSP3: | 0.95 |
AlogP: | 2.0 | Num_rotatable_bonds: | 6 |
MolWt: | 708.89 | Num_heavy_atoms: | 50 |
TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CHBA: | 3 | RingCount: | 6 |
HBD: | 1 | FractionCSP3: | 0.93 |
AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
MolWt: | 414.63 | Num_heavy_atoms: | 30 |
TPSA: | 38.69 | NumAromaticRings: | 0 |