Glycoside
GD025443
Name:
NoneFormula:
C21H22O5N2Smiles:
O=C(NC[C@]1(O)CO[C@H](CN2Cc3ccccc3C2=O)[C@H]1O)c1ccccc1Aglycone:
CN1Cc2ccccc2C1=O.CNC(=O)c1ccccc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.42 | Num_heavy_atoms: | 28 |
| TPSA: | 99.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD16868
Formula: C9H9ON
Smiles:
CN1Cc2ccccc2C1=O| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.18 | Num_heavy_atoms: | 11 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
