Glycoside
GD017041
Name:
NoneFormula:
C20H26O4N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNC1C2CC3CC(C2)CC1C3Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.47 | Num_heavy_atoms: | 30 |
| TPSA: | 148.41 | 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 |
AD12208
Formula: C11H17ON
Smiles:
O=CNC1C2CC3CC(C2)CC1C3| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.26 | Num_heavy_atoms: | 13 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
