Glycoside
GD018799
Name:
GLOBOSUMONE CFormula:
C13H16O7Smiles:
Cc1cc(O)cc(O)c1C(=O)OCC(=O)[C@H](O)[C@H](C)OAglycone:
Cc1cc(O)cc(O)c1C=OSugarmoiety:
CC(O)C(O)C(=O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD13193
Formula: C8H8O3
Smiles:
Cc1cc(O)cc(O)c1C=O| 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 |
