Glycoside
GD037460
Name:
NoneFormula:
C19H20O13Smiles:
O=C(OC[C@@H]1O[C@H](Oc2c(O)cc(O)cc2O)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.Oc1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.36 | Num_heavy_atoms: | 32 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD19644
Formula: C6H6O4
Smiles:
Oc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
