Glycoside
GD076915
Name:
NoneFormula:
C18H29O5N4Smiles:
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1OAglycone:
CC(=O)NCC[NH+](C)C.CNC(=O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 381.45 | Num_heavy_atoms: | 27 |
| TPSA: | 124.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD12829
Formula: C8H10ON2
Smiles:
CNC(=O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
AD27256
Formula: C6H15ON2
Smiles:
CC(=O)NCC[NH+](C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.2 | Num_heavy_atoms: | 9 |
| TPSA: | 33.54 | NumAromaticRings: | 0 |
