Glycoside
GD134815
Name:
{3,4,5-trihydroxy-6-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C23H26O12Smiles:
COc1cc(C=CCO)ccc1OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(C=CCO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 195.6 | 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 |
AD05908
Formula: C10H12O3
Smiles:
COc1cc(C=CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
