Glycoside
GD037021
Name:
Tenuifoliside AFormula:
C31H38O17Smiles:
COc1cc(C=CC(=O)O[C@@H]2[C@H](O)[C@H](CO)O[C@]2(CO)O[C@@H]2O[C@H](COC(=O)c3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COC(=O)c1ccc(O)cc1.COc1cc(C=CC(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 249.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD17348
Formula: C12H14O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
