Glycoside
GD149067
Name:
2-({7-[(benzyloxy)methyl]-5-hydroxy-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H28O9Smiles:
OCC1OC(OC2OC=CC3C(O)C=C(COCc4ccccc4)C23)C(O)C(O)C1OAglycone:
OC1C=C(COCc2ccccc2)C2C(O)OC=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 138.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD59612
Formula: C16H18O4
Smiles:
OC1C=C(COCc2ccccc2)C2C(O)OC=CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
