Glycoside
GD027664
Name:
6'-O-TRITYL LOGANINFormula:
C36H40O10Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12Aglycone:
COC(=O)C1=COC(O)C2C1CC(O)C2C.COC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 632.71 | Num_heavy_atoms: | 46 |
| TPSA: | 144.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00333
Formula: C11H16O5
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
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 |
