Glycoside
GD011196
Name:
NoneFormula:
C24H23O6ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3cc4ccccc4s3)c(Cl)c3c2CCO3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1c(Cc2cc3ccccc3s2)ccc2c1OCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.95 | Num_heavy_atoms: | 31 |
| TPSA: | 99.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD08581
Formula: C18H13OClS
Smiles:
Clc1c(Cc2cc3ccccc3s2)ccc2c1OCC2| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.81 | Num_heavy_atoms: | 20 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
