Glycoside
GD021158
Name:
NoneFormula:
C25H28O10N2Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(C(N)=O)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(O)c(C(N)=O)c(=O)oc12.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.5 | Num_heavy_atoms: | 37 |
| TPSA: | 183.54 | 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 |
AD12498
Formula: C11H9O5N
Smiles:
Cc1c(O)ccc2c(O)c(C(N)=O)c(=O)oc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 235.19 | Num_heavy_atoms: | 17 |
| TPSA: | 113.76 | NumAromaticRings: | 2 |
