Glycoside
GD133516
Name:
N-{[3,4-dihydroxy-5-({[(pyridin-2-yl)methyl]carbamoyl}methyl)oxolan-2-yl]methyl}-4-methoxybenzamideFormula:
C21H25O6N3Smiles:
COc1ccc(C(=O)NCC2OC(CC(O)=NCc3ccccn3)C(O)C2O)cc1Aglycone:
CC(O)=NCc1ccccn1.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.45 | Num_heavy_atoms: | 30 |
| TPSA: | 133.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD05627
Formula: C9H11O2N
Smiles:
CNC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD46260
Formula: C8H10ON2
Smiles:
CC(O)=NCc1ccccn1| 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 |
