Glycoside
GD112327
Name:
NoneFormula:
C33H48O11Smiles:
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.85 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.74 | Num_heavy_atoms: | 44 |
| TPSA: | 140.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD21868
Formula: C19H30O2
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.45 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
