Glycoside
GD027003
Name:
(3,4,5-trihydroxy-6-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C23H28O13Smiles:
COc1cc(C[C@H](CO)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(CC(O)CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.46 | Num_heavy_atoms: | 36 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
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 |
AD10907
Formula: C10H14O4
Smiles:
COc1cc(CC(O)CO)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
