Glycoside
GD047989
Name:
NoneFormula:
C13H18O7N2Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cnc3c(c2)OCCO3)[C@@H](O)[C@@H]1OAglycone:
Nc1cnc2c(c1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 133.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD25758
Formula: C7H8O2N2
Smiles:
Nc1cnc2c(c1)OCCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.37 | NumAromaticRings: | 1 |
