Glycoside
GD155159
Name:
2-[(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H32O14Smiles:
OCC1OC(OCC2=COC(OC3OC(CO)C(O)C(O)C3O)C3C=CC(O)C23)C(O)C(O)C1OAglycone:
OCC1=COC(O)C2C=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -4.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.47 | Num_heavy_atoms: | 35 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD57469
Formula: C9H12O4
Smiles:
OCC1=COC(O)C2C=CC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
