Glycoside
GD085462
Name:
NoneFormula:
C20H30O5N4Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)NC2CCCCC2)[C@@H](O)[C@H]1O)NCc1cccnc1Aglycone:
CC(=O)NCc1cccnc1.CNC(=O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.48 | Num_heavy_atoms: | 29 |
| TPSA: | 132.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD23110
Formula: C8H10ON2
Smiles:
CC(=O)NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
AD23111
Formula: C8H16ON2
Smiles:
CNC(=O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
