Glycoside
GD117352
Name:
l-rhodinose-2-deoxy-l-fucose-l-rhodinose-beta-rhodomycinoneFormula:
C39H52O15Smiles:
CCC1(O)CC(OC2CCC(OC3CC(O)C(OC4CCC(O)C(C)O4)C(C)O3)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1COAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(OC2CCC(O)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1COSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 760.83 | Num_heavy_atoms: | 54 |
| TPSA: | 231.13 | 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 |
AD46772
Formula: C27H32O10
Smiles:
CCC1(O)CC(OC2CCC(O)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1CO| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.54 | Num_heavy_atoms: | 37 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
