Glycoside
GD011408
Name:
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-3-(hydroxymethyl)-1H-isochromen-1-oneFormula:
C17H20O10Smiles:
CO[C@@H]1[C@H](CO)O[C@H](Oc2cc(O)c3c(=O)oc(CO)cc3c2)[C@H](O)[C@H]1OAglycone:
O=c1oc(CO)cc2cc(O)cc(O)c12Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.34 | Num_heavy_atoms: | 27 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD08726
Formula: C10H8O5
Smiles:
O=c1oc(CO)cc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.17 | Num_heavy_atoms: | 15 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
