Glycoside
GD028157
Name:
NoneFormula:
C20H28O6N2SSmiles:
O=C(c1cnc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1)C12CC3CC(CC(C3)C1)C2Aglycone:
Nc1ncc(C(=O)C23CC4CC(CC(C4)C2)C3)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.52 | Num_heavy_atoms: | 29 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD18431
Formula: C14H18ON2S
Smiles:
Nc1ncc(C(=O)C23CC4CC(CC(C4)C2)C3)s1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.38 | Num_heavy_atoms: | 18 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
