Glycoside
GD125271
Name:
3-Hydroxyphloretin 4'-O-(6''-O-Galloyl)-Beta-D-GlucosideFormula:
C28H28O15Smiles:
O=C(OCC1OC(Oc2cc(O)c(C(=O)CCc3ccc(O)c(O)c3)c(O)c2)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 604.52 | Num_heavy_atoms: | 43 |
| TPSA: | 264.13 | 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 |
AD20902
Formula: C15H14O6
Smiles:
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
