Glycoside
GD033869
Name:
NoneFormula:
C30H40O8Smiles:
CC(C)[C@@H]1CCC2=CC(=O)CC[C@@](C)(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(=O)C=Cc3ccccc3)C[C@H]21Aglycone:
CC(C)C1CCC2=CC(=O)CCC(C)(O)CC21.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.64 | Num_heavy_atoms: | 38 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD21591
Formula: C15H24O2
Smiles:
CC(C)C1CCC2=CC(=O)CCC(C)(O)CC21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
