Glycoside
GD143206
Name:
NoneFormula:
C21H24O4N3ClSmiles:
OC(CC1OC(CNCc2cccc(Cl)c2)C(O)C1O)=NCc1cccnc1Aglycone:
CC(O)=NCc1cccnc1.CNCc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 405.88 | Num_heavy_atoms: | 28 |
| TPSA: | 107.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD01294
Formula: C9H10NCl
Smiles:
CNCc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.63 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD46357
Formula: C8H10ON2
Smiles:
CC(O)=NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
