Glycoside
GD150715
Name:
NoneFormula:
C29H26O16SSmiles:
CC(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc(OS(=O)(=O)O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1OAglycone:
CC(=O)c1c(O)cc(OS(=O)(=O)O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.58 | Num_heavy_atoms: | 46 |
| TPSA: | 274.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD60174
Formula: C23H16O11S
Smiles:
CC(=O)c1c(O)cc(OS(=O)(=O)O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.09 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.44 | Num_heavy_atoms: | 35 |
| TPSA: | 195.73 | NumAromaticRings: | 3 |
