Glycoside
GD011631
Name:
NoneFormula:
C14H22O4N8Smiles:
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC(=O)NN)[C@H](O)[C@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CN(C)CC(=O)NNSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.38 | Num_heavy_atoms: | 26 |
| TPSA: | 177.67 | 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 |
AD08867
Formula: C4H11ON3
Smiles:
CN(C)CC(=O)NN| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 58.36 | NumAromaticRings: | 0 |
