Glycoside
GD130591
Name:
{3,4,5-trihydroxy-6-[(4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methyl 3-(2,3,4-trihydroxyphenyl)prop-2-enoateFormula:
C20H20O12Smiles:
O=C(C=Cc1ccc(O)c(O)c1O)OCC1OC(Oc2coccc2=O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1O.O=c1ccocc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.37 | Num_heavy_atoms: | 32 |
| TPSA: | 196.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD24873
Formula: C5H4O3
Smiles:
O=c1ccocc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.08 | Num_heavy_atoms: | 8 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
AD52922
Formula: C10H10O5
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.18 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
