Glycoside
GD058508
Name:
NoneFormula:
C16H18O6N2Smiles:
N#Cc1cccc2c1CC[C@H]2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
N#Cc1cccc2c1CCC2NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.33 | Num_heavy_atoms: | 24 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD29242
Formula: C10H10N2
Smiles:
N#Cc1cccc2c1CCC2N| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
