Glycoside
GD132560
Name:
6-{[3,5-dihydroxy-4-(4-hydroxybenzoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexa-2,4-diene-1-carboxylic acidFormula:
C20H22O11Smiles:
O=C(OC1C(O)C(CO)OC(OC2C=CC=C(O)C2C(=O)O)C1O)c1ccc(O)cc1Aglycone:
O=C(O)C1C(O)=CC=CC1O.O=C(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD53674
Formula: C7H8O4
Smiles:
O=C(O)C1C(O)=CC=CC1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.14 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
