Glycoside
GD007266
Name:
NoneFormula:
C32H48O9Smiles:
C[C@@H]1CC(=O)[C@H](O)[C@]2(O)[C@H]1[C@]1(C)CC[C@]34C[C@]35CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]5CC=C4[C@@]1(C)[C@H]2OAglycone:
CC1CC(=O)C(O)C2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 576.73 | Num_heavy_atoms: | 41 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD05927
Formula: C27H40O5
Smiles:
CC1CC(=O)C(O)C2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2O| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
