Glycoside
GD013864
Name:
(-)-6-((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-Methoxytetrahydro-2H-Pyran-2-Yloxy)-8-Hydroxy-3-Methyl-1H-Isochromen-1-OneFormula:
C17H20O9Smiles:
CO[C@@H]1[C@H](CO)O[C@H](Oc2cc(O)c3c(=O)oc(C)cc3c2)[C@H](O)[C@H]1OAglycone:
Cc1cc2cc(O)cc(O)c2c(=O)o1Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 138.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD10281
Formula: C10H8O4
Smiles:
Cc1cc2cc(O)cc(O)c2c(=O)o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
