Glycoside
GD142552
Name:
methyl 7-hydroxy-7-methyl-1-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]oxan-2-yl}methoxy)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C22H34O14Smiles:
COC(=O)C1=COC(OCC2OC(OCC3OC(O)C(O)C3O)C(O)C(O)C2O)C2C1CCC2(C)OAglycone:
COC(=O)C1=COC(OC)C2C1CCC2(C)OSugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.5 | Num_heavy_atoms: | 36 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD46635
Formula: C12H18O5
Smiles:
COC(=O)C1=COC(OC)C2C1CCC2(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
