Glycoside
GD021646
Name:
NoneFormula:
C22H30O4N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N(CCC2=CCCCC2)CC2CC2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN(CCC1=CCCCC1)CC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.52 | Num_heavy_atoms: | 32 |
| TPSA: | 139.62 | 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 |
AD00981
Formula: C13H21ON
Smiles:
O=CN(CCC1=CCCCC1)CC1CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 207.32 | Num_heavy_atoms: | 15 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
