Glycoside
GD088317
Name:
NoneFormula:
C20H22O7N4Smiles:
COc1ccc(-c2nnc3c(C(=O)N[C@H]4[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)cccn23)cc1Aglycone:
COc1ccc(-c2nnc3c(C(N)=O)cccn23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.42 | Num_heavy_atoms: | 31 |
| TPSA: | 158.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD38641
Formula: C14H12O2N4
Smiles:
COc1ccc(-c2nnc3c(C(N)=O)cccn23)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.28 | Num_heavy_atoms: | 20 |
| TPSA: | 82.51 | NumAromaticRings: | 3 |
