Glycoside
GD071012
Name:
NoneFormula:
C18H22O8N2Smiles:
O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CCCN1C(=O)c2ccccc2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD33540
Formula: C12H12O3N2
Smiles:
NC(=O)CCCN1C(=O)c2ccccc2C1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.24 | Num_heavy_atoms: | 17 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
