Glycoside
GD017056
Name:
NoneFormula:
C17H20O12Smiles:
CC(=CO[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O)C(=O)OAglycone:
CC(=CO)C(=O)O.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.34 | Num_heavy_atoms: | 29 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
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 |
AD12221
Formula: C4H6O3
Smiles:
CC(=CO)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.09 | Num_heavy_atoms: | 7 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
