Glycoside
GD149852
Name:
4-ethyl-6-[1-(2-hydroxy-9a,11a-dimethyl-5-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)ethyl]-3-methyloxan-2-oneFormula:
C35H56O10Smiles:
CCC1CC(C(C)C2C(O)CC3C4CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC(=O)C1CAglycone:
CCC1CC(C(C)C2C(O)CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC(=O)C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59898
Formula: C29H46O5
Smiles:
CCC1CC(C(C)C2C(O)CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC(=O)C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
