Glycoside
GD036724
Name:
NoneFormula:
C34H52O13Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@]4(O)[C@H]3C(=O)[C@@H]3OC(C)[C@@H]5CC[C@@]4(O)[C@]35C)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1OC2C(=O)C3C4(C)CCC(O)CC4=CCC3(O)C3(O)CCC1C23CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 668.78 | Num_heavy_atoms: | 47 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD20468
Formula: C21H30O5
Smiles:
CC1OC2C(=O)C3C4(C)CCC(O)CC4=CCC3(O)C3(O)CCC1C23C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 362.47 | Num_heavy_atoms: | 26 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
