Glycoside
GD125997
Name:
3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyloxy)-6-[(2,3,4-trihydroxybenzoyloxy)methyl]oxan-4-yl 2,3,4-trihydroxybenzoateFormula:
C27H24O18Smiles:
O=C(OC1OC(COC(=O)c2ccc(O)c(O)c2O)C(O)C(OC(=O)c2ccc(O)c(O)c2O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1O.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1ccc(O)c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.22 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 636.47 | Num_heavy_atoms: | 45 |
| TPSA: | 310.66 | 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 |
AD14557
Formula: C7H6O5
Smiles:
O=C(O)c1ccc(O)c(O)c1O| 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 |
AD20802
Formula: C8H8O5
Smiles:
COC(=O)c1ccc(O)c(O)c1O| 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 |
