Glycoside
GD131207
Name:
[4-({6-[(3,4-dihydroxybenzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)phenyl]methyl 3,4-dihydroxybenzoateFormula:
C27H26O13Smiles:
O=C(OCc1ccc(OC2OC(COC(=O)c3ccc(O)c(O)c3)C(O)C(O)C2O)cc1)c1ccc(O)c(O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1.O=C(OCc1ccc(O)cc1)c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.49 | Num_heavy_atoms: | 40 |
| TPSA: | 212.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD49980
Formula: C14H12O5
Smiles:
O=C(OCc1ccc(O)cc1)c1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
