Glycoside
GD146006
Name:
methyl 4'-(1-hydroxyethyl)-5'-oxo-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateFormula:
C21H26O12Smiles:
COC(=O)C1=COC(OC2OC(O)C(O)C(O)C2CO)C2C1C=CC21C=C(C(C)O)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)O)C(=O)O1Sugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.43 | Num_heavy_atoms: | 33 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00097
Formula: C15H16O7
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)O)C(=O)O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
