Glycoside
GD113172
Name:
NoneFormula:
C36H37O7NSmiles:
CO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC)[C@H]1NC(=O)c1ccccc1Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)c1ccccc1Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 595.69 | Num_heavy_atoms: | 44 |
| TPSA: | 92.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
