Glycoside
GD115334
Name:
2-(hydroxymethyl)-6-{4-[3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)penta-1,4-dien-1-yl]phenoxy}oxane-3,4,5-triolFormula:
C29H36O12Smiles:
C=CC(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
C=CC(C=Cc1ccc(O)cc1)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 576.6 | Num_heavy_atoms: | 41 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD45601
Formula: C17H16O2
Smiles:
C=CC(C=Cc1ccc(O)cc1)c1ccc(O)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 252.31 | Num_heavy_atoms: | 19 |
| TPSA: | 40.46 | NumAromaticRings: | 2 |
