Glycoside
GD141944
Name:
4,5-dihydroxy-6-(2-oxo-4-phenylbut-3-en-1-yl)-3-(3,4,5-trihydroxybenzoylperoxy)oxan-2-yl 3,4,5-trihydroxybenzoateFormula:
C29H26O15Smiles:
O=C(C=Cc1ccccc1)CC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OOC(=O)c2cc(O)c(O)c(O)c2)C(O)C1OAglycone:
CC(=O)C=Cc1ccccc1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(OO)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.51 | Num_heavy_atoms: | 44 |
| TPSA: | 249.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD02337
Formula: C10H10O
Smiles:
CC(=O)C=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 146.19 | Num_heavy_atoms: | 11 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD49065
Formula: C7H6O6
Smiles:
O=C(OO)c1cc(O)c(O)c(O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.12 | Num_heavy_atoms: | 13 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
