Glycoside
GD115795
Name:
[1-(1-hydroxyethyl)-9a,11a-dimethyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acidFormula:
C27H44O10SSmiles:
CC(O)C1CCC2C3CC(OC4OC(C)C(O)C(O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CAglycone:
CC(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.71 | Num_heavy_atoms: | 38 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45869
Formula: C21H34O6S
Smiles:
CC(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.56 | Num_heavy_atoms: | 28 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
