Glycoside
GD130554
Name:
NoneFormula:
C41H33O13NSmiles:
O=C(OCC(OC(=O)c1ccccc1)C1OC(OC(=O)c2ccc([NH+]([O-])O)cc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccc([NH+]([O-])O)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCCOC(=O)c1ccccc1)c1ccccc1Sugarmoiety:
OCC(O)C1OOC(O)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 747.71 | Num_heavy_atoms: | 55 |
| TPSA: | 188.46 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44720
Formula: C16H14O4
Smiles:
O=C(OCCOC(=O)c1ccccc1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 52.6 | NumAromaticRings: | 2 |
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 |
