Glycoside
GD023173
Name:
NoneFormula:
C16H23O6N5Smiles:
Nc1ccn([C@@H]2O[C@H](C(=O)NCCCN3CCCC3=O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=CNCCCN1CCCC1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.39 | Num_heavy_atoms: | 27 |
| TPSA: | 160.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD15616
Formula: C8H14O2N2
Smiles:
O=CNCCCN1CCCC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.21 | Num_heavy_atoms: | 12 |
| TPSA: | 49.41 | NumAromaticRings: | 0 |
