Glycoside
GD151314
Name:
2-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O15Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)cc1)CC2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD14944
Formula: C16H14O5
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
