Glycoside
GD122782
Name:
{1-[1-(5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl)ethyl]-1-hydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acidFormula:
C29H46O10SSmiles:
COC1(C)CC(C(C)C2(O)CCC3C4CC=C5CC(OS(=O)(=O)O)CC(=O)C5(C)C4CCC32C)OC(O)C1(C)OAglycone:
CCC1(O)CCC2C3CC=C4CC(OS(=O)(=O)O)CC(=O)C4(C)C3CCC21CSugarmoiety:
COC1(C)CC(O)OC(O)C1(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 586.74 | Num_heavy_atoms: | 40 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD49515
Formula: C21H32O6S
Smiles:
CCC1(O)CCC2C3CC=C4CC(OS(=O)(=O)O)CC(=O)C4(C)C3CCC21C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.55 | Num_heavy_atoms: | 28 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
