Glycoside
GD147615
Name:
6-{[7,8-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C27H34O14Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3O)CC(CO)C2COC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3O)CC(CO)C2CO)cc(OC)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD59107
Formula: C21H26O8
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3O)CC(CO)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
