Glycoside

GD147990
Name:
2-{[8-hydroxy-9-(hydroxymethyl)-1,5,9-trimethyl-10-oxatricyclo[6.2.2.0²,â¶]dodecan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O9Smiles:
CC1CC(OC2OC(CO)C(O)C(O)C2O)C2C1CC1(O)CCC2(C)OC1(C)COAglycone:
CC1CC(O)C2C1CC1(O)CCC2(C)OC1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 1.0 |
AlogP: | -1.1 | Num_rotatable_bonds: | 4 |
MolWt: | 432.51 | Num_heavy_atoms: | 30 |
TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD59242
Formula: C15H26O4
Smiles:
CC1CC(O)C2C1CC1(O)CCC2(C)OC1(C)COHBA: | 4 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
MolWt: | 270.37 | Num_heavy_atoms: | 19 |
TPSA: | 69.92 | NumAromaticRings: | 0 |