Glycoside
GD058499
Name:
NoneFormula:
C15H14O7N2Smiles:
N#Cc1oc2ccccc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
N#Cc1oc2ccccc2c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.28 | Num_heavy_atoms: | 24 |
| TPSA: | 164.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD29239
Formula: C9H6ON2
Smiles:
N#Cc1oc2ccccc2c1N| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.16 | Num_heavy_atoms: | 12 |
| TPSA: | 62.95 | NumAromaticRings: | 2 |
