Glycoside
GD013991
Name:
7-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C17H22O11Smiles:
COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@H](OC3OC(CO)C(O)C(O)C3O)[C@H]12Aglycone:
COC(=O)C1=CCC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.35 | Num_heavy_atoms: | 28 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06907
Formula: C11H12O6
Smiles:
COC(=O)C1=CCC2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.21 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
