Glycoside
GD014669
Name:
DICTAMNUSINEFormula:
C21H28O10Smiles:
C[C@@H]1C2=C(O)C(=O)O[C@H](c3ccoc3)[C@@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1C2=C(O)C(=O)OC(c3ccoc3)C2(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD10763
Formula: C15H18O5
Smiles:
CC1C2=C(O)C(=O)OC(c3ccoc3)C2(C)CCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 1 |
