Glycoside
GD119858
Name:
3,4,5-trihydroxy-6-[(2,4,5,9-tetrahydroxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl)oxy]oxan-2-yl benzoateFormula:
C27H24O12Smiles:
Cc1cc(O)c2c(c1)C(O)(OC1OC(OC(=O)c3ccccc3)C(O)C(O)C1O)c1cc(O)cc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(O)(O)c1cc(O)cc(O)c1C2=O.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 540.48 | Num_heavy_atoms: | 39 |
| TPSA: | 203.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD48089
Formula: C15H12O6
Smiles:
Cc1cc(O)c2c(c1)C(O)(O)c1cc(O)cc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
