Glycoside
GD088784
Name:
NoneFormula:
C18H26O8N3SSmiles:
O=C(C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=S1(=O)Nc2ccccc2CN1C1CC[NH2+]CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.49 | Num_heavy_atoms: | 30 |
| TPSA: | 172.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD38847
Formula: C12H18O2N3S
Smiles:
O=S1(=O)Nc2ccccc2CN1C1CC[NH2+]CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.36 | Num_heavy_atoms: | 18 |
| TPSA: | 66.02 | NumAromaticRings: | 1 |
