Glycoside
GD054881
Name:
NoneFormula:
C13H18O8N2Smiles:
COc1cc(OC)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cn1Aglycone:
COc1cc(OC)c(N)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 330.29 | Num_heavy_atoms: | 23 |
| TPSA: | 158.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD27912
Formula: C7H10O2N2
Smiles:
COc1cc(OC)c(N)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.17 | Num_heavy_atoms: | 11 |
| TPSA: | 57.37 | NumAromaticRings: | 1 |
