Glycoside
GD139696
Name:
2-{[1-hydroxy-3-methyl-5-(propan-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H36O13Smiles:
Cc1cc2c(C(C)C)cc(OC3OC(CO)C(O)C(O)C3O)cc2c(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1cc2c(C(C)C)cc(O)cc2c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.56 | Num_heavy_atoms: | 39 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD56335
Formula: C14H16O3
Smiles:
Cc1cc2c(C(C)C)cc(O)cc2c(O)c1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.28 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
