Glycoside
GD114275
Name:
13-Hydroxy-7-O-(6'-O-Sulfate-Beta-D-Glucopyranosyl)-DesoxyhemigossypolFormula:
C21H26O12SSmiles:
Cc1cc2c3c(c(OC4OC(COS(=O)(=O)O)C(O)C(O)C4O)c(O)c(C(C)CO)c3c1)CO2Aglycone:
COS(=O)(=O)O.Cc1cc2c3c(c(O)c(O)c(C(C)CO)c3c1)CO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 502.49 | Num_heavy_atoms: | 34 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD44949
Formula: C15H16O4
Smiles:
Cc1cc2c3c(c(O)c(O)c(C(C)CO)c3c1)CO2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
