Glycoside
GD001101
Name:
NoneFormula:
C17H20O5N2Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](OCCc3ccccc3)O2)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.OCCc1ccccc1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.36 | Num_heavy_atoms: | 24 |
| TPSA: | 93.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
