Glycoside
GD014958
Name:
NoneFormula:
C25H29O9N3SSmiles:
CSC(Cc1ccc(OCc2nc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc3n2C)cc1)C(N)=OAglycone:
CSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 547.59 | Num_heavy_atoms: | 38 |
| TPSA: | 186.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD10946
Formula: C19H21O3N3S
Smiles:
CSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 371.46 | Num_heavy_atoms: | 26 |
| TPSA: | 90.37 | NumAromaticRings: | 3 |
