Glycoside
GD028779
Name:
NoneFormula:
C26H32O9N2Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(OCCN)cc(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(OCCN)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.55 | Num_heavy_atoms: | 37 |
| TPSA: | 155.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD18765
Formula: C12H13O4N
Smiles:
Cc1c(O)ccc2c(OCCN)cc(=O)oc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.24 | Num_heavy_atoms: | 17 |
| TPSA: | 85.69 | NumAromaticRings: | 2 |
