Glycoside
GD023429
Name:
NoneFormula:
C31H37O6N4ClSmiles:
COC[C@@H]1O[C@H](OCc2ccc(Cl)cc2)[C@H](NC(=O)CCCN=C(N)N)[C@H](OCc2ccc3ccccc3c2)[C@H]1OAglycone:
NC(=O)CCCN=C(N)N.OCc1ccc(Cl)cc1.OCc1ccc2ccccc2c1Sugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 585.1 | Num_heavy_atoms: | 41 |
| TPSA: | 150.65 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
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 |
