Glycoside
GD145990
Name:
Daturamalakoside AFormula:
C34H50O10Smiles:
C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CC(O)C4(C)C3CCC12CAglycone:
C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 618.76 | Num_heavy_atoms: | 44 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD58570
Formula: C28H40O5
Smiles:
C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.62 | Num_heavy_atoms: | 33 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
