Glycoside
GD008428
Name:
NoneFormula:
C36H58O10Smiles:
CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2CC=C2[C@H]3CC(C)(C)[C@H](O)C[C@]3(C(=O)O)CC[C@@]21CAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CC(O)C4(C)C3(C)CCC2(C(=O)O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD06731
Formula: C30H48O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CC(O)C4(C)C3(C)CCC2(C(=O)O)CC1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
