Glycoside
GD146828
Name:
3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C31H46O11Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 594.7 | Num_heavy_atoms: | 42 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD01727
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
