Glycoside
GD147587
Name:
Derriscandenoside AFormula:
C30H30O14Smiles:
COc1ccc(-c2coc3c(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(O)ccc3c2=O)cc1Aglycone:
COC(C)=O.COc1ccc(-c2coc3c(O)c(O)ccc3c2=O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.56 | Num_heavy_atoms: | 44 |
| TPSA: | 183.33 | NumAromaticRings: | 3 |
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 |
AD46391
Formula: C16H12O5
Smiles:
COc1ccc(-c2coc3c(O)c(O)ccc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
