Glycoside
GD143375
Name:
2-[3,4-dihydroxy-5-({[(4-methylphenyl)carbamoyl]amino}methyl)oxolan-2-yl]-N-(prop-2-yn-1-yl)acetamideFormula:
C18H23O5N3Smiles:
C#CCN=C(O)CC1OC(CN=C(O)Nc2ccc(C)cc2)C(O)C1OAglycone:
C#CCN=C(C)O.CN=C(O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.4 | Num_heavy_atoms: | 26 |
| TPSA: | 126.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | 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 |
