Glycoside
GD157746
Name:
N-[(3,4-dihydroxy-5-{2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}oxolan-2-yl)methyl]benzamideFormula:
C20H28O6N2Smiles:
COCC1CCCN1C(=O)CC1OC(CN=C(O)c2ccccc2)C(O)C1OAglycone:
CN=C(O)c1ccccc1.COCC1CCCN1C(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 111.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD23210
Formula: C8H15O2N
Smiles:
COCC1CCCN1C(C)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.54 | 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 |
