Glycoside
GD153320
Name:
[3,5-dihydroxy-4-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)phenyl]methyl 3,4,5-trihydroxybenzoateFormula:
C27H26O17Smiles:
O=C(OCc1cc(O)c(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)c(O)c1)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.26 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.49 | Num_heavy_atoms: | 44 |
| TPSA: | 293.59 | NumAromaticRings: | 3 |
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 |
AD50341
Formula: C14H12O8
Smiles:
O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.24 | Num_heavy_atoms: | 22 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
