Glycoside
GD014558
Name:
NoneFormula:
C25H29O9NSSmiles:
CNCC[C@H](Oc1cccc2c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(OC)ccc12)c1cccs1Aglycone:
CNCCC(Oc1cccc2c(O)c(OC)ccc12)c1cccs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 519.57 | Num_heavy_atoms: | 36 |
| TPSA: | 146.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD10689
Formula: C19H21O3NS
Smiles:
CNCCC(Oc1cccc2c(O)c(OC)ccc12)c1cccs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 343.45 | Num_heavy_atoms: | 24 |
| TPSA: | 50.72 | NumAromaticRings: | 3 |
