Glycoside
GD023806
Name:
Hellebrigenin-3-O-�-GlucosideFormula:
C30H42O11Smiles:
C[C@@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]34C=O)[C@@]1(O)CC[C@H]2c1ccc(=O)oc1Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 187.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD00214
Formula: C24H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 416.51 | Num_heavy_atoms: | 30 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
