Glycoside
GD020193
Name:
NoneFormula:
C21H32O9SSmiles:
CC1OC(OCC2OC(SCCCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
SCCCc1ccccc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.55 | Num_heavy_atoms: | 31 |
| TPSA: | 149.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD02672
Formula: C9H12S
Smiles:
SCCCc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.26 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
