Glycoside
GD029485
Name:
NoneFormula:
C27H30O13Smiles:
COC(=O)C[C@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)Cc2ccccc2)[C@H]1OC(=O)C(=O)c1ccc(O)cc1Aglycone:
COC(=O)CC(O)CO.O=C(O)C(=O)c1ccc(O)cc1.O=C(O)Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 195.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD17684
Formula: C5H10O4
Smiles:
COC(=O)CC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.13 | Num_heavy_atoms: | 9 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD17685
Formula: C8H6O4
Smiles:
O=C(O)C(=O)c1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.13 | Num_heavy_atoms: | 12 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
