Glycoside
GD120734
Name:
N-({5-[(benzylcarbamoyl)methyl]-3,4-dihydroxyoxolan-2-yl}methyl)thiophene-2-carboxamideFormula:
C19H22O5N2SSmiles:
O=C(NCC1OC(CC(O)=NCc2ccccc2)C(O)C1O)c1cccs1Aglycone:
CC(O)=NCc1ccccc1.CNC(=O)c1cccs1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.46 | Num_heavy_atoms: | 27 |
| TPSA: | 111.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD18746
Formula: C6H7ONS
Smiles:
CNC(=O)c1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 141.19 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD48531
Formula: C9H11ON
Smiles:
CC(O)=NCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
