Glycoside
GD010114
Name:
NoneFormula:
C28H34O4N4Smiles:
C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1ccccc1Aglycone:
CC1CN(c2ccccc2C#N)CCC1CN.c1ccc(C2CCCN2)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.6 | Num_heavy_atoms: | 36 |
| TPSA: | 116.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD01164
Formula: C10H13N
Smiles:
c1ccc(C2CCCN2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.22 | Num_heavy_atoms: | 11 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD07854
Formula: C14H19N3
Smiles:
CC1CN(c2ccccc2C#N)CCC1CN| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.33 | Num_heavy_atoms: | 17 |
| TPSA: | 53.05 | NumAromaticRings: | 1 |
