Glycoside
GD139408
Name:
RoccellatolFormula:
C12H16O7Smiles:
Cc1cc(O)c(C(=O)OCC(O)C(O)CO)c(O)c1Aglycone:
Cc1cc(O)c(C=O)c(O)c1Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.25 | Num_heavy_atoms: | 19 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD56210
Formula: C8H8O3
Smiles:
Cc1cc(O)c(C=O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
