Glycoside
GD110508
Name:
NoneFormula:
C36H48O14Smiles:
COC(=O)[C@H]1O[C@@H](O[C@H]2C[C@@]3(C)[C@H](C(=O)COC(C)=O)CC[C@@H]3[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12CSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 704.77 | Num_heavy_atoms: | 50 |
| TPSA: | 184.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD44648
Formula: C23H32O5
Smiles:
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
