Glycoside
GD146773
Name:
methyl 4-(1-hydroxyethyl)-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3'a,6',7',7'a-tetrahydro-5H-spiro[furan-2,1'-indene]-4'-carboxylateFormula:
C22H28O11Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)O)C(=O)O1Aglycone:
COC(=O)C1=CCC(O)C2C1C=CC21C=C(C(C)O)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.46 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD58831
Formula: C16H18O6
Smiles:
COC(=O)C1=CCC(O)C2C1C=CC21C=C(C(C)O)C(=O)O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.31 | Num_heavy_atoms: | 22 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
