Glycoside
GD003922
Name:
NoneFormula:
C15H16O5SSmiles:
Oc1ccc2cc(S[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)ccc2c1Aglycone:
Oc1ccc2cc(S)ccc2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.36 | Num_heavy_atoms: | 21 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD03490
Formula: C10H8OS
Smiles:
Oc1ccc2cc(S)ccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.24 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
