Glycoside
GD123224
Name:
Beta-Allamcidin GlucosideFormula:
C21H28O12Smiles:
COC(=O)C1COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)O)C(=O)O1Aglycone:
COC(=O)C1COC(O)C2C1C=CC21C=C(C(C)O)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD49710
Formula: C15H18O7
Smiles:
COC(=O)C1COC(O)C2C1C=CC21C=C(C(C)O)C(=O)O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.3 | Num_heavy_atoms: | 22 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
