Glycoside
GD147712
Name:
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H36O16Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(O)C2=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 243.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD59149
Formula: C17H16O7
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(O)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
