Glycoside
GD028912
Name:
NoneFormula:
C28H33O11N3Smiles:
COc1cc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
COc1cc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 587.58 | Num_heavy_atoms: | 42 |
| TPSA: | 184.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD18850
Formula: C22H22O6N3
Smiles:
COc1cc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCC1=C[N]N=N1| HBA: | 9 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 424.43 | Num_heavy_atoms: | 31 |
| TPSA: | 102.04 | NumAromaticRings: | 2 |
