Glycoside
GD097909
Name:
NoneFormula:
C22H26O8N2SSmiles:
COC(=O)c1sc2c(c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCN(Cc1ccccc1)C2Aglycone:
COC(=O)c1sc2c(c1N)CCN(Cc1ccccc1)C2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.52 | Num_heavy_atoms: | 33 |
| TPSA: | 156.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD41648
Formula: C16H18O2N2S
Smiles:
COC(=O)c1sc2c(c1N)CCN(Cc1ccccc1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.4 | Num_heavy_atoms: | 21 |
| TPSA: | 55.56 | NumAromaticRings: | 2 |
