Glycoside
GD130319
Name:
N-{[3,4-dihydroxy-5-({[(pyridin-3-yl)methyl]carbamoyl}methyl)oxolan-2-yl]methyl}-4-(dimethylamino)benzamideFormula:
C22H28O5N4Smiles:
CN(C)c1ccc(C(=O)NCC2OC(CC(O)=NCc3cccnc3)C(O)C2O)cc1Aglycone:
CC(O)=NCc1cccnc1.CNC(=O)c1ccc(N(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 428.49 | Num_heavy_atoms: | 31 |
| TPSA: | 127.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD35315
Formula: C10H14ON2
Smiles:
CNC(=O)c1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
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 |
