Glycoside
GD148238
Name:
PenstemideFormula:
C21H32O10Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC=C(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD55361
Formula: C15H22O5
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
