Glycoside
GD141690
Name:
4,5-dihydroxy-2-[(2,3,4,5,6-pentahydroxybenzoyloxy)methyl]-6-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 2,3,4,5,6-pentahydroxybenzoateFormula:
C27H24O22Smiles:
O=C(OC1OC(COC(=O)c2c(O)c(O)c(O)c(O)c2O)C(OC(=O)c2c(O)c(O)c(O)c(O)c2O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1c(O)c(O)c(O)c(O)c1O.O=C(O)c1c(O)c(O)c(O)c(O)c1O.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.22 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 700.47 | Num_heavy_atoms: | 49 |
| TPSA: | 391.58 | 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 |
AD57065
Formula: C8H8O7
Smiles:
COC(=O)c1c(O)c(O)c(O)c(O)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.15 | Num_heavy_atoms: | 15 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
AD57066
Formula: C7H6O7
Smiles:
O=C(O)c1c(O)c(O)c(O)c(O)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.12 | Num_heavy_atoms: | 14 |
| TPSA: | 138.45 | NumAromaticRings: | 1 |
