Glycoside
GD017964
Name:
5-hydroxy-2-(2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H26O12Smiles:
COc1cc(O)c2c(c1OC)O[C@H](c1c(O)cccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CC2=OAglycone:
COc1cc(O)c2c(c1OC)OC(c1c(O)cccc1O)CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD12757
Formula: C17H16O7
Smiles:
COc1cc(O)c2c(c1OC)OC(c1c(O)cccc1O)CC2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
