Glycoside
GD135658
Name:
N-({3,4-dihydroxy-5-[(phenylcarbamoyl)methyl]oxolan-2-yl}methyl)-4-methylbenzamideFormula:
C21H24O5N2Smiles:
Cc1ccc(C(=O)NCC2OC(CC(O)=Nc3ccccc3)C(O)C2O)cc1Aglycone:
CC(O)=Nc1ccccc1.CNC(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 111.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD21339
Formula: C9H11ON
Smiles:
CNC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
