Glycoside
GD014658
Name:
NoneFormula:
C16H17O7NSmiles:
Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cc1ccc2[nH]cc(C(=O)O)c(=O)c2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.31 | Num_heavy_atoms: | 24 |
| TPSA: | 129.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD10756
Formula: C11H9O3N
Smiles:
Cc1ccc2[nH]cc(C(=O)O)c(=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.2 | Num_heavy_atoms: | 15 |
| TPSA: | 70.16 | NumAromaticRings: | 2 |
