Glycoside
GD151005
Name:
6-acetyl-4-{[5-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methylnaphthalene-2-carboxylic acidFormula:
C22H26O10Smiles:
CCC1(O)C(CO)OC(Oc2cc(C(=O)O)cc3cc(C)c(C(C)=O)c(O)c23)C(O)C1OAglycone:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1OSugarmoiety:
CCC1(O)C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD45063
Formula: C14H12O5
Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
