Glycoside
GD002244
Name:
NoneFormula:
C30H36O8N3ClSmiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]3OC(=O)C(C)C)c(Cl)c2c1Aglycone:
CC(C)C(=O)O.CC(C)C(=O)O.COC(=O)C(C)C.COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3Sugarmoiety:
OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.07 | Num_heavy_atoms: | 41 |
| TPSA: | 128.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02162
Formula: C13H9ON3Cl
Smiles:
COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.68 | Num_heavy_atoms: | 17 |
| TPSA: | 48.58 | NumAromaticRings: | 2 |
