Glycoside
GD138797
Name:
N-[(3,4-dihydroxy-5-{[methyl(prop-2-en-1-yl)carbamoyl]methyl}oxolan-2-yl)methyl]benzamideFormula:
C18H24O5N2Smiles:
C=CCN(C)C(=O)CC1OC(CN=C(O)c2ccccc2)C(O)C1OAglycone:
C=CCN(C)C(C)=O.CN=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 348.4 | Num_heavy_atoms: | 25 |
| TPSA: | 102.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD30199
Formula: C6H11ON
Smiles:
C=CCN(C)C(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD47599
Formula: C8H9ON
Smiles:
CN=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
