Glycoside
GD095532
Name:
NoneFormula:
C20H29O8N2SSmiles:
O=C(C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=S(=O)(NC1CCC12CC[NH2+]CC2)c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.53 | Num_heavy_atoms: | 31 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD40761
Formula: C14H21O2N2S
Smiles:
O=S(=O)(NC1CCC12CC[NH2+]CC2)c1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.4 | Num_heavy_atoms: | 19 |
| TPSA: | 62.78 | NumAromaticRings: | 1 |
