Glycoside
GD084739
Name:
NoneFormula:
C18H26O7N2SSmiles:
CCOC(=O)c1ccc(NC(=S)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CCOC(=O)c1ccc(NC(=S)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.48 | Num_heavy_atoms: | 28 |
| TPSA: | 129.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD37888
Formula: C12H16O3N2S
Smiles:
CCOC(=O)c1ccc(NC(=S)NCCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.34 | Num_heavy_atoms: | 18 |
| TPSA: | 70.59 | NumAromaticRings: | 1 |
