Glycoside
GD131074
Name:
NoneFormula:
C28H27O15N3Smiles:
COC(=O)C(OC(=O)c1ccc([NH+]([O-])O)cc1)C1OCC(OC(=O)c2ccc([NH+]([O-])O)cc2)C1OC(=O)c1ccc([NH+]([O-])O)cc1Aglycone:
COC(=O)COC(=O)c1ccc([NH+]([O-])O)cc1.O=C(O)c1ccc([NH+]([O-])O)cc1.O=C(O)c1ccc([NH+]([O-])O)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 645.53 | Num_heavy_atoms: | 46 |
| TPSA: | 257.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD52908
Formula: C7H7O4N
Smiles:
O=C(O)c1ccc([NH+]([O-])O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 169.14 | Num_heavy_atoms: | 12 |
| TPSA: | 85.03 | NumAromaticRings: | 1 |
AD53109
Formula: C10H11O6N
Smiles:
COC(=O)COC(=O)c1ccc([NH+]([O-])O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 241.2 | Num_heavy_atoms: | 17 |
| TPSA: | 100.33 | NumAromaticRings: | 1 |
