Glycoside
GD035993
Name:
NoneFormula:
C14H21O5N7Smiles:
CN[C@H](C)C(=O)NC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(C)NC.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.37 | Num_heavy_atoms: | 26 |
| TPSA: | 180.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD06669
Formula: C5H12ON2
Smiles:
CNC(=O)C(C)NC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
