Glycoside
GD145645
Name:
1-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-hydroxy-7-methylidene-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C21H30O14Smiles:
C=C1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C12Aglycone:
C=C1C(O)CC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD10207
Formula: C10H12O5
Smiles:
C=C1C(O)CC2C(C(=O)O)=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
