Glycoside
GD100367
Name:
NoneFormula:
C20H25O9N3ClSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(Cl)cc(N)[nH+]2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1cc(Cl)cc(N)[nH+]1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.87 | Num_heavy_atoms: | 32 |
| TPSA: | 166.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD42407
Formula: C6H7N3Cl
Smiles:
Nc1cc(Cl)cc(N)[nH+]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.59 | Num_heavy_atoms: | 9 |
| TPSA: | 66.18 | NumAromaticRings: | 1 |
