Glycoside
GD133964
Name:
N-[(3,4-dihydroxy-5-{[(propan-2-yl)carbamoyl]methyl}oxolan-2-yl)methyl]-4-methoxybenzamideFormula:
C18H26O6N2Smiles:
COc1ccc(C(=O)NCC2OC(CC(O)=NC(C)C)C(O)C2O)cc1Aglycone:
CC(O)=NC(C)C.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 120.61 | NumAromaticRings: | 1 |
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 |
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
