Glycoside
GD077582
Name:
NoneFormula:
C21H22O6N2Smiles:
O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
C=C1C(=O)Nc2ccccc2N=C1c1ccccc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.42 | Num_heavy_atoms: | 29 |
| TPSA: | 142.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD35502
Formula: C16H12ON2
Smiles:
C=C1C(=O)Nc2ccccc2N=C1c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.28 | Num_heavy_atoms: | 19 |
| TPSA: | 41.46 | NumAromaticRings: | 2 |
