Glycoside
GD034906
Name:
NoneFormula:
C27H37O9N3SSmiles:
CNc1ccc2c(cc1=O)[C@H](NC(=S)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CCc1cc(OC)c(OC)c(OC)c1-2Aglycone:
CNC(=S)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NC)c(=O)cc21Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 579.67 | Num_heavy_atoms: | 40 |
| TPSA: | 182.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD22131
Formula: C22H27O4N3S
Smiles:
CNC(=S)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NC)c(=O)cc21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 429.54 | Num_heavy_atoms: | 30 |
| TPSA: | 80.85 | NumAromaticRings: | 2 |
