Glycoside
GD005498
Name:
Scorzoaustriacin 3-O-Beta-D-GlucosideFormula:
C26H37O10NSmiles:
C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CNCC2CCC(=O)O2)[C@@H]2C(=C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H]12Aglycone:
C=C1CCC2C(CNCC3CCC(=O)O3)C(=O)OC2C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 523.58 | Num_heavy_atoms: | 37 |
| TPSA: | 164.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD04669
Formula: C20H27O5N
Smiles:
C=C1CCC2C(CNCC3CCC(=O)O3)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.44 | Num_heavy_atoms: | 26 |
| TPSA: | 84.86 | NumAromaticRings: | 0 |
