Glycoside
GD013901
Name:
NoneFormula:
C22H26O9N4Smiles:
Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N[C@@H]4C(O)O[C@H](CO)[C@H](O)[C@H]4O)cc3)cc2n(C)c1=OAglycone:
Cn1c(=O)c2[nH]c(-c3ccc(OCC(N)=O)cc3)cc2n(C)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.47 | Num_heavy_atoms: | 35 |
| TPSA: | 188.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD10306
Formula: C16H16O4N4
Smiles:
Cn1c(=O)c2[nH]c(-c3ccc(OCC(N)=O)cc3)cc2n(C)c1=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.33 | Num_heavy_atoms: | 24 |
| TPSA: | 112.11 | NumAromaticRings: | 3 |
