Glycoside
GD123413
Name:
N-({3,4-dihydroxy-5-[(phenylcarbamoyl)methyl]oxolan-2-yl}methyl)furan-2-carboxamideFormula:
C18H20O6N2Smiles:
O=C(NCC1OC(CC(O)=Nc2ccccc2)C(O)C1O)c1ccco1Aglycone:
CC(O)=Nc1ccccc1.CNC(=O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.37 | Num_heavy_atoms: | 26 |
| TPSA: | 124.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD18098
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | 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 |
