Glycoside
GD127269
Name:
1-[1-(5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl)ethyl]-1-hydroxy-9a,11a-dimethyl-7-[(trihydroxy-λâ´-sulfanyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-oneFormula:
C29H48O10SSmiles:
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: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.76 | Num_heavy_atoms: | 40 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD51532
Formula: C21H34O6S
Smiles:
CCC1(O)CCC2C3CC=C4CC(OS(O)(O)O)CC(=O)C4(C)C3CCC21C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.56 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
