Glycoside
GD139403
Name:
4'-Methoxy-3,3',5-Trihydroxystilbene 3'-O-Beta-D-(6''-O-Galloyl)-GlucopyranosideFormula:
C28H28O13Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.25 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.52 | Num_heavy_atoms: | 41 |
| TPSA: | 215.83 | 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 |
AD11932
Formula: C15H14O4
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
