Glycoside
GD007767
Name:
NoneFormula:
C17H24O4N6Smiles:
C[C@H]1CC[C@@H](NC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
CC1CCC(NC=O)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.42 | Num_heavy_atoms: | 27 |
| 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 |
AD06292
Formula: C8H15ON
Smiles:
CC1CCC(NC=O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
