Glycoside
GD109119
Name:
NoneFormula:
C34H50O13Smiles:
COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5CC[C@H]([C@H](O)CO)[C@]5(C)CC(=O)[C@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(O)COSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.76 | Num_heavy_atoms: | 47 |
| TPSA: | 181.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD44218
Formula: C21H34O4
Smiles:
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
