Glycoside
GD146768
Name:
[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C28H36O17Smiles:
O=C(OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(O)COAglycone:
COC(=O)C1=COC(O)C2C1C=CC2(O)CO.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -4.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 644.58 | Num_heavy_atoms: | 45 |
| TPSA: | 274.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD01465
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C1C=CC2(O)CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
