Glycoside
GD135620
Name:
5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-phenylprop-2-enoateFormula:
C23H28O10Smiles:
O=C(C=Cc1ccccc1)OC1CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
O=C(C=Cc1ccccc1)OC1CC(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.47 | Num_heavy_atoms: | 33 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD54837
Formula: C17H18O5
Smiles:
O=C(C=Cc1ccccc1)OC1CC(O)C2C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
