Glycoside
GD139597
Name:
5-methoxy-3-methyl-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C26H32O14Smiles:
COc1cccc2cc3c(c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c12)C(C)OC3=OAglycone:
COc1cccc2cc3c(c(O)c12)C(C)OC3=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD49155
Formula: C14H12O4
Smiles:
COc1cccc2cc3c(c(O)c12)C(C)OC3=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 55.76 | NumAromaticRings: | 2 |
