Glycoside
GD024402
Name:
KALANCHOSIDE CFormula:
C30H42O9Smiles:
C[C@@H]1C[C@H](O)[C@H](O)[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)O1Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
CC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.66 | Num_heavy_atoms: | 39 |
| TPSA: | 146.66 | 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 |
