Glycoside
GD116478
Name:
{6-[(7,8-dihydroxy-4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C23H24O13Smiles:
O=C(OCC1OC(OC2CCC(=O)c3ccc(O)c(O)c32)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C1CCC(O)c2c1ccc(O)c2OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.43 | Num_heavy_atoms: | 36 |
| TPSA: | 223.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD46258
Formula: C10H10O4
Smiles:
O=C1CCC(O)c2c1ccc(O)c2O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
