Glycoside
GD127294
Name:
16-O-Acetyl-Hydroxyperiplogenin 3-O-Beta-D-DigitoxopyranosideFormula:
C31H46O10Smiles:
CC(=O)OC1CC2(O)C3CCC4(O)CC(OC5CC(O)C(O)C(C)O5)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 578.7 | Num_heavy_atoms: | 41 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD51542
Formula: C25H36O7
Smiles:
CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 448.56 | Num_heavy_atoms: | 32 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
