Glycoside
GD034396
Name:
3-{[2-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxyphenyl]methoxy}-2-hydroxybenzoic acidFormula:
C27H26O12Smiles:
O=C(OC[C@@H]1O[C@H](Oc2ccc(O)cc2COc2cccc(C(=O)O)c2O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1cccc(OCc2cc(O)ccc2O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.49 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD21875
Formula: C14H12O6
Smiles:
O=C(O)c1cccc(OCc2cc(O)ccc2O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
