Glycoside
GD027759
Name:
NoneFormula:
C39H34O6N3ClSmiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c(Cl)c2c1Aglycone:
COC(=O)c1ccccc1.COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 7.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 664.16 | Num_heavy_atoms: | 48 |
| TPSA: | 93.93 | NumAromaticRings: | 6 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
