Glycoside
GD127361
Name:
methyl 1-[(6-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C20H30O13Smiles:
COC(=O)C1=COC(OC2OC(COC(CO)CO)C(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12.COC(CO)COSugarmoiety:
OC(O)C(O)O.OCC(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -3.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD07800
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12| 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 |
AD51009
Formula: C4H10O3
Smiles:
COC(CO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 106.12 | Num_heavy_atoms: | 7 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
