Glycoside
GD021104
Name:
NoneFormula:
C18H29O5N5Smiles:
CC[n+]1cn([C@@H]2O[C@H](C[O-])[C@H](OC(C)C)[C@H]2OC(C)C)c2nc(N)[nH]c(=O)c21Aglycone:
CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
CC(C)OC1C(O)OC(CO)C1OC(C)COther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.46 | Num_heavy_atoms: | 28 |
| TPSA: | 131.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD03422
Formula: C7H9ON5
Smiles:
CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.18 | Num_heavy_atoms: | 13 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
