Glycoside
GD143102
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-(3-phenylpropoxy)oxan-2-yl]methyl acetateFormula:
C23H31O9NSmiles:
CC(=O)OCC1OC(OCCCc2ccccc2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCCCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 465.5 | Num_heavy_atoms: | 33 |
| TPSA: | 129.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD01225
Formula: C9H12O
Smiles:
OCCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.19 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
