Glycoside
GD135306
Name:
2-deoxy-l-fucose-l-rhodinose-2-deoxy-l-fucose-beta-rhodomycinoneFormula:
C37H48O16Smiles:
CCC1(O)CC(OC2CC(O)C(OC3CCC(OC4CCC(O)C(O)O4)C(C)O3)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1OAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(O)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1OSugarmoiety:
CC1OC(O)CC(O)C1O.OC1CCC(O)C(O)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 748.78 | Num_heavy_atoms: | 53 |
| TPSA: | 251.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD48740
Formula: C20H20O8
Smiles:
CCC1(O)CC(O)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 155.52 | NumAromaticRings: | 1 |
