Glycoside
GD001057
Name:
MONOCILLIN II GLYCOSIDEFormula:
C23H28O9Smiles:
C[C@@H]1CC=CCCC=CC(=O)Cc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc(O)c2C(=O)O1Aglycone:
CC1CC=CCCC=CC(=O)Cc2cc(O)cc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.47 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD01100
Formula: C18H20O5
Smiles:
CC1CC=CCCC=CC(=O)Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
