Glycoside
GD131782
Name:
3a,7-dihydroxy-9a,11a-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C33H54O12Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(OC5OC(CO)C(O)C(O)C5O)CC4(C)C3CCC12CAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.78 | Num_heavy_atoms: | 45 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD16244
Formula: C27H44O7
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.64 | Num_heavy_atoms: | 34 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
