Glycoside
GD121843
Name:
4,5-dihydroxy-6-[4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl]-3-(3,4,5-trihydroxybenzoylperoxy)oxan-2-yl 3,4,5-trihydroxybenzoateFormula:
C29H26O16Smiles:
O=C(C=Cc1ccc(O)cc1)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=Cc1ccc(O)cc1.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: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.51 | Num_heavy_atoms: | 45 |
| TPSA: | 270.2 | 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 |
AD02282
Formula: C10H10O2
Smiles:
CC(=O)C=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | 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 |
