Glycoside
GD115530
Name:
{6-[(2,5-dihydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-hydroxy-2,6-dimethoxybenzoateFormula:
C22H26O12Smiles:
COc1ccc(O)c(OC)c1C(=O)OCC1OC(OCc2cc(O)ccc2O)C(O)C(O)C1OAglycone:
COC(=O)c1c(OC)ccc(O)c1OC.OCc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00674
Formula: C7H8O3
Smiles:
OCc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD45720
Formula: C10H12O5
Smiles:
COC(=O)c1c(OC)ccc(O)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
