Glycoside
GD100387
Name:
NoneFormula:
C21H31O9N4Smiles:
CCCNc1cc[nH+]c(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)n1Aglycone:
CCCNc1cc[nH+]c(N)n1.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 483.5 | Num_heavy_atoms: | 34 |
| TPSA: | 165.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD42420
Formula: C7H13N4
Smiles:
CCCNc1cc[nH+]c(N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 153.21 | Num_heavy_atoms: | 11 |
| TPSA: | 65.08 | NumAromaticRings: | 1 |
