Glycoside
GD141703
Name:
2-({5,7-dihydroxy-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C14H22O9Smiles:
OCC1OC(OC2OC=CC3C(O)CC(O)C23)C(O)C(O)C1OAglycone:
OC1CC(O)C2C(O)OC=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.32 | Num_heavy_atoms: | 23 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD57070
Formula: C8H12O4
Smiles:
OC1CC(O)C2C(O)OC=CC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 172.18 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
