Glycoside
GD120859
Name:
NoneFormula:
C17H20O5N3FSmiles:
C#CCN=C(O)CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1OAglycone:
C#CCN=C(C)O.CN=C(O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.36 | Num_heavy_atoms: | 26 |
| TPSA: | 126.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD44877
Formula: C8H9ON2F
Smiles:
CN=C(O)Nc1cccc(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.17 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
