Glycoside
GD001185
Name:
NoneFormula:
C13H16O7N2Smiles:
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n(C=CC=O)c1=OAglycone:
Cc1c[nH]c(=O)n(C=CC=O)c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.28 | Num_heavy_atoms: | 22 |
| TPSA: | 130.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD01235
Formula: C8H8O3N2
Smiles:
Cc1c[nH]c(=O)n(C=CC=O)c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 71.93 | NumAromaticRings: | 1 |
