Glycoside
GD118673
Name:
1,8-dihydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C21H20O11Smiles:
O=C1c2cc(CO)cc(O)c2C(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc21Aglycone:
O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD47476
Formula: C15H10O6
Smiles:
O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
