Glycoside
GD024387
Name:
NoneFormula:
C17H27O5N7Smiles:
CC[C@H](C)[C@H](N)C(=O)N(O)C[C@@H]1O[C@H](Cn2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)N(C)O.Cn1cnc2c(N)ncnc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 409.45 | Num_heavy_atoms: | 29 |
| TPSA: | 185.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD06782
Formula: C7H16O2N2
Smiles:
CCC(C)C(N)C(=O)N(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 160.22 | Num_heavy_atoms: | 11 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
AD08255
Formula: C6H7N5
Smiles:
Cn1cnc2c(N)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.16 | Num_heavy_atoms: | 11 |
| TPSA: | 69.62 | NumAromaticRings: | 2 |
