Glycoside
GD021605
Name:
NoneFormula:
C25H22O6N3ClSmiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H]3O)c(Cl)c2c1Aglycone:
COC(=O)c1ccccc1.COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 483.91 | Num_heavy_atoms: | 34 |
| TPSA: | 115.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
