Glycoside
GD156654
Name:
l-rhodinose-2-deoxy-l-fucose-l-rhodinose-epsilon-rhodomycinoneFormula:
C40H52O16Smiles:
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)=C2C1C(=O)OCAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(OC2CCC(O)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1C(=O)OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 788.84 | Num_heavy_atoms: | 56 |
| TPSA: | 237.2 | 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 |
AD62007
Formula: C28H32O11
Smiles:
CCC1(O)CC(OC2CCC(O)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1C(=O)OC| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.55 | Num_heavy_atoms: | 39 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
