Glycoside
GD139870
Name:
2-{[3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(octadecylcarbamoyl)oxan-4-yl]oxy}propanoic acidFormula:
C38H62O9N2Smiles:
CCCCCCCCCCCCCCCCCCN=C(O)C1OC(OCc2ccccc2)C(N=C(C)O)C(OC(C)C(=O)O)C1OC(C)=OAglycone:
CC(O)C(=O)O.CCCCCCCCCCCCCCCCCCN=CO.OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 8.28 | Num_rotatable_bonds: | 26 |
| MolWt: | 690.92 | Num_heavy_atoms: | 49 |
| TPSA: | 156.47 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD56411
Formula: C19H39ON
Smiles:
CCCCCCCCCCCCCCCCCCN=CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 17 |
| MolWt: | 297.53 | Num_heavy_atoms: | 21 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
