Glycoside
GD108727
Name:
NoneFormula:
C34H44O14Smiles:
COC(=O)[C@H]1O[C@@H](OCC(=O)[C@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4C(=O)C[C@@]32C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)COSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 676.71 | Num_heavy_atoms: | 48 |
| TPSA: | 195.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD44198
Formula: C21H28O5
Smiles:
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
