Glycoside
GD085402
Name:
NoneFormula:
C19H18O7N4Smiles:
O=C(O)c1cccc(C(=O)CC[C@@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@@H](O)[C@H]2O)c1Aglycone:
CCC(=O)c1cccc(C(=O)O)c1.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 167.63 | NumAromaticRings: | 3 |
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 |
AD24736
Formula: C10H10O3
Smiles:
CCC(=O)c1cccc(C(=O)O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
