Glycoside
GD101819
Name:
NoneFormula:
C24H30O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccccc2C(=O)N[C@H](C)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(NC(=O)c1ccccc1C(=O)NCCO)c1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.51 | Num_heavy_atoms: | 33 |
| TPSA: | 137.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD43112
Formula: C18H20O3N2
Smiles:
CC(NC(=O)c1ccccc1C(=O)NCCO)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.37 | Num_heavy_atoms: | 23 |
| TPSA: | 78.43 | NumAromaticRings: | 2 |
