Glycoside
GD081126
Name:
NoneFormula:
C17H24O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CN1C(=O)Cc2cc(S(=O)(=O)NCCO)ccc21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.45 | Num_heavy_atoms: | 28 |
| TPSA: | 145.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD36581
Formula: C11H14O4N2S
Smiles:
CN1C(=O)Cc2cc(S(=O)(=O)NCCO)ccc21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.31 | Num_heavy_atoms: | 18 |
| TPSA: | 86.71 | NumAromaticRings: | 1 |
