Glycoside
GD147686
Name:
Pregn-5-Ene-3,14,20-Triol; (3β,14β,20S)-Form, 20-Ac, 3-O-[β-D-Digitoxopyranosyl-(1->4)-O-β-D-Oleandropyranoside]Formula:
C36H58O10Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(O)C(O)C(C)O1Aglycone:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD58422
Formula: C23H36O4
Smiles:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
