Glycoside
GD126421
Name:
9-hydroxy-6-methoxy-8-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C25H30O14Smiles:
COc1cc(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(cc2c1)COC3=OAglycone:
COc1cc(O)c2c(O)c3c(cc2c1)COC3=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 554.5 | Num_heavy_atoms: | 39 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD51153
Formula: C13H10O5
Smiles:
COc1cc(O)c2c(O)c3c(cc2c1)COC3=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
