Glycoside
GD005302
Name:
NoneFormula:
C28H37O6N4ClSmiles:
COC[C@@H]1O[C@H](OCCc2ccccc2)[C@H](NC(=O)CCCN=C(N)N)[C@H](OCc2ccc(Cl)cc2)[C@H]1OAglycone:
NC(=O)CCCN=C(N)N.OCCc1ccccc1.OCc1ccc(Cl)cc1Sugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 14 |
| MolWt: | 549.07 | Num_heavy_atoms: | 38 |
| TPSA: | 150.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD04526
Formula: C5H12ON4
Smiles:
NC(=O)CCCN=C(N)N| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 144.18 | Num_heavy_atoms: | 10 |
| TPSA: | 107.49 | NumAromaticRings: | 0 |
