Glycoside
GD129125
Name:
2-[3,4-dihydroxy-5-({[(4-methylphenyl)carbamoyl]amino}methyl)oxolan-2-yl]-N-[2-(morpholin-4-yl)ethyl]acetamideFormula:
C21H32O6N4Smiles:
Cc1ccc(NC(O)=NCC2OC(CC(O)=NCCN3CCOCC3)C(O)C2O)cc1Aglycone:
CC(O)=NCCN1CCOCC1.CN=C(O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.51 | Num_heavy_atoms: | 31 |
| TPSA: | 139.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD45716
Formula: C8H16O2N2
Smiles:
CC(O)=NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
AD46565
Formula: C9H12ON2
Smiles:
CN=C(O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
