Glycoside
GD146548
Name:
2-[5-({[(3-chlorophenyl)methyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-(morpholin-4-yl)ethyl]acetamideFormula:
C21H30O5N3ClSmiles:
OC(CC1OC(CNCc2cccc(Cl)c2)C(O)C1O)=NCCN1CCOCC1Aglycone:
CC(O)=NCCN1CCOCC1.CNCc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 427.93 | Num_heavy_atoms: | 29 |
| TPSA: | 106.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD01294
Formula: C9H10NCl
Smiles:
CNCc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.63 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
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 |
