Glycoside
GD082434
Name:
NoneFormula:
C16H29O8N3SSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1OAglycone:
COS(O)(O)O.[NH3+]C1CCN(c2cc[nH+]cc2)CC1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.49 | Num_heavy_atoms: | 28 |
| TPSA: | 173.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29100
Formula: C10H17N3
Smiles:
[NH3+]C1CCN(c2cc[nH+]cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.27 | Num_heavy_atoms: | 13 |
| TPSA: | 45.02 | NumAromaticRings: | 1 |
