Glycoside
GD153450
Name:
{1-acetyl-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,9bH,11aH-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acidFormula:
C27H42O10SSmiles:
CC(=O)C1CCC2C3CC(OC4OC(C)C(O)C(O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3C=CC12CAglycone:
CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3C=CC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.69 | Num_heavy_atoms: | 38 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD61028
Formula: C21H32O6S
Smiles:
CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3C=CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.55 | Num_heavy_atoms: | 28 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
