Glycoside
GD028735
Name:
LONGUMOSIDE BFormula:
C21H28O10Smiles:
CC(CC(=O)O)(CC(=O)O)OC[C@@H]1O[C@H](OCC=Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)(CC(=O)O)CC(=O)O.OCC=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD05536
Formula: C9H10O
Smiles:
OCC=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD18743
Formula: C7H12O5
Smiles:
COC(C)(CC(=O)O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
