Glycoside
GD134746
Name:
4a-hydroxy-6-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-oneFormula:
C15H22O9Smiles:
CC1CC2C(OC3OC(CO)C(O)C(O)C3O)OC=CC2(O)C1=OAglycone:
CC1CC2C(O)OC=CC2(O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54509
Formula: C9H12O4
Smiles:
CC1CC2C(O)OC=CC2(O)C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
