Glycoside
GD154435
Name:
2-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C21H32O13Smiles:
COC(COC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)c1ccc(O)c(O)c1Aglycone:
COC(CO)c1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.47 | Num_heavy_atoms: | 34 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD11661
Formula: C9H12O4
Smiles:
COC(CO)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
