Glycoside
GD133606
Name:
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoateFormula:
C22H28O13Smiles:
O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C(O)(CO)C1O)c1ccc(O)cc1Aglycone:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.45 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD54069
Formula: C16H18O8
Smiles:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1O)c1ccc(O)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.31 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
