Glycoside
GD129320
Name:
2-{[3-butoxy-5-hydroxy-7-(hydroxymethyl)-1H,3H,4H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H32O10Smiles:
CCCCOC1CC2C(O)C=C(CO)C2C(OC2OC(CO)C(O)C(O)C2O)O1Aglycone:
CCCCOC1CC2C(O)C=C(CO)C2C(O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.46 | Num_heavy_atoms: | 29 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD52393
Formula: C13H22O5
Smiles:
CCCCOC1CC2C(O)C=C(CO)C2C(O)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 258.31 | Num_heavy_atoms: | 18 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
