Glycoside
GD117143
Name:
N-[4-(benzyloxy)-6-[(benzyloxy)methyl]-2-(4-acetamidophenoxy)-5-hydroxyoxan-3-yl]acetamideFormula:
C30H34O7N2Smiles:
CC(O)=Nc1ccc(OC2OC(COCc3ccccc3)C(O)C(OCc3ccccc3)C2N=C(C)O)cc1Aglycone:
CC(O)=Nc1ccc(O)cc1.COCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 534.61 | Num_heavy_atoms: | 39 |
| TPSA: | 122.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD46660
Formula: C8H9O2N
Smiles:
CC(O)=Nc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
