Glycoside
GD153390
Name:
methyl 4'-(hydroxymethyl)-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateFormula:
C20H24O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(CO)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(CO)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.4 | Num_heavy_atoms: | 32 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD61008
Formula: C14H14O7
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(CO)C(=O)O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.26 | Num_heavy_atoms: | 21 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
