Glycoside
GD152225
Name:
4-(3,4-dihydroxyphenyl)-7-hydroxy-3-(methoxycarbonyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydronaphthalene-2-carboxylic acidFormula:
C25H26O13Smiles:
COC(=O)C1C(C(=O)O)=Cc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2C1c1ccc(O)c(O)c1Aglycone:
COC(=O)C1C(C(=O)O)=Cc2cc(O)c(O)cc2C1c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 223.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD60631
Formula: C19H16O8
Smiles:
COC(=O)C1C(C(=O)O)=Cc2cc(O)c(O)cc2C1c1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.16 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
