Glycoside
GD108306
Name:
NoneFormula:
C28H40O9Smiles:
CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@H]3C(=O)[C@]3(O)O[C@H](C)[C@@H]5CC(=O)[C@H]4[C@@]53C)[C@@H]2O)O[C@@H](C)[C@H]1OAglycone:
CC1OC2(O)C(=O)C3C(CC=C4C(O)C(O)CCC43C)C3C(=O)CC1C32CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.62 | Num_heavy_atoms: | 37 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD44425
Formula: C21H28O6
Smiles:
CC1OC2(O)C(=O)C3C(CC=C4C(O)C(O)CCC43C)C3C(=O)CC1C32C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
