Glycoside
GD087362
Name:
NoneFormula:
C16H26O10N2SSmiles:
CC(C)COc1cnccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC(C)COc1cnccc1C(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.46 | Num_heavy_atoms: | 29 |
| TPSA: | 191.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD31325
Formula: C10H14O2N2
Smiles:
CC(C)COc1cnccc1C(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
