Glycoside
GD146860
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-6-yl)methyl 4-hydroxybenzoateFormula:
C22H26O11Smiles:
O=C(OCC1=CC2C(OC3OC(CO)C(O)C(O)C3O)OC=CC2C1O)c1ccc(O)cc1Aglycone:
O=C(OCC1=CC2C(O)OC=CC2C1O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD58852
Formula: C16H16O6
Smiles:
O=C(OCC1=CC2C(O)OC=CC2C1O)c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
