Glycoside
GD115319
Name:
{3,4,5,6-tetrakis[2-oxo-2-(3,4,5-trihydroxyphenyl)ethoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C45H40O26Smiles:
O=C(COC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(OCC(=O)c2cc(O)c(O)c(O)c2)C(OCC(=O)c2cc(O)c(O)c(O)c2)C1OCC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(CO)c1cc(O)c(O)c(O)c1.O=C(CO)c1cc(O)c(O)c(O)c1.O=C(CO)c1cc(O)c(O)c(O)c1.O=C(CO)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.22 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 19 |
| MolWt: | 996.79 | Num_heavy_atoms: | 71 |
| TPSA: | 444.18 | NumAromaticRings: | 5 |
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 |
AD21896
Formula: C8H8O5
Smiles:
O=C(CO)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
