Glycoside
GD126590
Name:
methyl 5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C23H34O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC3OC(C)C(O)C(O)C3O)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -4.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.51 | Num_heavy_atoms: | 38 |
| TPSA: | 234.29 | 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 |
