Glycoside
GD028666
Name:
NoneFormula:
C18H27O6N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCCCC(=O)NCCO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCCCCC(=O)NCCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 437.46 | Num_heavy_atoms: | 31 |
| TPSA: | 197.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18706
Formula: C9H18O3N2
Smiles:
O=CNCCCCCC(=O)NCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 202.25 | Num_heavy_atoms: | 14 |
| TPSA: | 78.43 | NumAromaticRings: | 0 |
