Glycoside
GD008056
Name:
NoneFormula:
C33H38O6N4Smiles:
COC[C@@H]1OC(OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN=C(N)N)[C@H](OCc2ccc3ccccc3c2)[C@H]1OAglycone:
NC(=O)CCN=C(N)N.OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1Sugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 586.69 | Num_heavy_atoms: | 43 |
| TPSA: | 150.65 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD06482
Formula: C4H10ON4
Smiles:
NC(=O)CCN=C(N)N| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.15 | Num_heavy_atoms: | 9 |
| TPSA: | 107.49 | NumAromaticRings: | 0 |
