Glycoside
GD019240
Name:
NoneFormula:
C20H23O6NSSmiles:
OC[C@@H]1O[C@H](OCCN2c3ccccc3Sc3ccccc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCCN1c2ccccc2Sc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.47 | Num_heavy_atoms: | 28 |
| TPSA: | 102.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD13455
Formula: C14H13ONS
Smiles:
OCCN1c2ccccc2Sc2ccccc21| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.33 | Num_heavy_atoms: | 17 |
| TPSA: | 23.47 | NumAromaticRings: | 2 |
