Glycoside
GD016844
Name:
NoneFormula:
C14H21O4N7Smiles:
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC(N)=O)[C@H](O)[C@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CN(C)CC(N)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.37 | Num_heavy_atoms: | 25 |
| TPSA: | 165.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00269
Formula: C6H6N5
Smiles:
CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03045
Formula: C4H10ON2
Smiles:
CN(C)CC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
