Glycoside
GD130682
Name:
2-hydroxy-6-({3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acidFormula:
C20H20O11Smiles:
O=C(OCC1OC(Oc2cccc(O)c2C(=O)O)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.O=C(O)c1c(O)cccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD45909
Formula: C7H6O4
Smiles:
O=C(O)c1c(O)cccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
