Glycoside
GD147052
Name:
2-(3,4-dihydroxy-5-{[(phenylcarbamoyl)amino]methyl}oxolan-2-yl)-N-[(pyridin-3-yl)methyl]acetamideFormula:
C20H24O5N4Smiles:
OC(CC1OC(CN=C(O)Nc2ccccc2)C(O)C1O)=NCc1cccnc1Aglycone:
CC(O)=NCc1cccnc1.CN=C(O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.44 | Num_heavy_atoms: | 29 |
| TPSA: | 139.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD46357
Formula: C8H10ON2
Smiles:
CC(O)=NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
AD46818
Formula: C8H10ON2
Smiles:
CN=C(O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
