Glycoside
GD059385
Name:
NoneFormula:
C14H16O6N4Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H]1n1cnc2c(=O)[nH]cnc21Aglycone:
O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
CC(=O)OC1C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.3 | Num_heavy_atoms: | 24 |
| TPSA: | 125.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
