Glycoside
GD004791
Name:
PENSTEMIDEFormula:
C22H34O10Smiles:
CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2CC=C(CO)[C@]12CAglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.5 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD04142
Formula: C16H24O5
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.36 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
