Glycoside
GD075542
Name:
NoneFormula:
C16H22O7N4Smiles:
CCOC(=O)c1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2c(ccn2C)n1Aglycone:
CCOC(=O)c1nc(N)c2c(ccn2C)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 159.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD35001
Formula: C10H12O2N4
Smiles:
CCOC(=O)c1nc(N)c2c(ccn2C)n1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.23 | Num_heavy_atoms: | 16 |
| TPSA: | 83.03 | NumAromaticRings: | 2 |
