Glycoside
GD100995
Name:
NoneFormula:
C22H31O6N5Smiles:
CCCN(CCC)C(=O)c1ccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCCN(CCC)C(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 461.52 | Num_heavy_atoms: | 33 |
| TPSA: | 163.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD42688
Formula: C17H22O2N5
Smiles:
CCCN(CCC)C(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 328.4 | Num_heavy_atoms: | 24 |
| TPSA: | 101.89 | NumAromaticRings: | 1 |
