Glycoside
GD083106
Name:
NoneFormula:
C20H30O6N4Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O)NCCN1CCOCC1Aglycone:
CC(=O)NCCN1CCOCC1.CNC(=O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 422.48 | Num_heavy_atoms: | 30 |
| TPSA: | 132.39 | 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 |
AD30366
Formula: C8H16O2N2
Smiles:
CC(=O)NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
