Glycoside
GD101556
Name:
NoneFormula:
C19H22O9N3ClSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nnccc2Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1nnccc1ClSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.84 | Num_heavy_atoms: | 31 |
| TPSA: | 152.24 | 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 |
AD42988
Formula: C5H4N3Cl
Smiles:
Nc1nnccc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.55 | Num_heavy_atoms: | 8 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
