Glycoside
GD141922
Name:
{2,3,4-trihydroxy-5-[1-hydroxy-2-(3,4,5-trihydroxybenzoyloxy)ethyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C21H22O15Smiles:
O=C(OCC(O)C1OC(O)(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(OCCO)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.39 | Num_heavy_atoms: | 36 |
| TPSA: | 264.13 | 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 |
AD57136
Formula: C9H10O6
Smiles:
O=C(OCCO)c1cc(O)c(O)c(O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.17 | Num_heavy_atoms: | 15 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
