Glycoside
GD131485
Name:
3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]oxane-2-carboxylic acidFormula:
C21H20O10Smiles:
O=C1CC(c2ccccc2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21Aglycone:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD07333
Formula: C15H12O4
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
