Glycoside
GD154859
Name:
Prunasin 3',6'-Di-O-GallateFormula:
C28H25O14NSmiles:
N#CC(OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1O)c1ccccc1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.N#CC(O)c1ccccc1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.25 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 599.5 | Num_heavy_atoms: | 43 |
| TPSA: | 256.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
