Glycoside
GD156440
Name:
CentabracteinFormula:
C21H20O15SSmiles:
O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 544.44 | Num_heavy_atoms: | 37 |
| TPSA: | 253.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD45122
Formula: C15H10O10S
Smiles:
O=c1c(O)c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c12| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.3 | Num_heavy_atoms: | 26 |
| TPSA: | 174.73 | NumAromaticRings: | 3 |
