Glycoside
GD152428
Name:
NoneFormula:
C17H28O11N2SSmiles:
CC=CS(=O)CC(N=C(O)CCC(NCC1(O)OCC(O)C(O)C1O)C(=O)O)C(=O)OAglycone:
CC=CS(=O)CC(N=C(O)CCC(NC)C(=O)O)C(=O)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 468.48 | Num_heavy_atoms: | 31 |
| TPSA: | 226.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD60693
Formula: C12H20O6N2S
Smiles:
CC=CS(=O)CC(N=C(O)CCC(NC)C(=O)O)C(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 320.37 | Num_heavy_atoms: | 21 |
| TPSA: | 136.29 | NumAromaticRings: | 0 |
