Glycoside
GD136908
Name:
2-{[5-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4aH,5H-cyclopenta[c]pyran-4a-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H30O15Smiles:
OCC1=CC(O)C2(OC3OC(CO)C(O)C(O)C3O)C=COC(OC3OC(CO)C(O)C(O)C3O)=C12Aglycone:
OCC1=CC(O)C2(O)C=COC(O)=C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | -5.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.46 | Num_heavy_atoms: | 36 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD55332
Formula: C9H10O5
Smiles:
OCC1=CC(O)C2(O)C=COC(O)=C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.17 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
