Glycoside
GD129182
Name:
3-hydroxy-1,4-bis(3,4,5-trihydroxybenzoyloxy)-3-[(3,4,5-trihydroxybenzoyloxy)methyl]butan-2-yl 3,4,5-trihydroxybenzoateFormula:
C33H28O21Smiles:
O=C(OCC(OC(=O)c1cc(O)c(O)c(O)c1)C(O)(COC(=O)c1cc(O)c(O)c(O)c1)COC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1Aglycone:
O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
OOCC(OO)C(O)(COO)COOOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.15 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 760.57 | Num_heavy_atoms: | 54 |
| TPSA: | 368.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
