Glycoside
GD106034
Name:
NoneFormula:
C21H35O10N3SSmiles:
CS(=O)(=O)N(C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1OAglycone:
CC(=O)NC1CC1.CC(=O)NC1CC1.CN(C)S(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 521.59 | Num_heavy_atoms: | 35 |
| TPSA: | 194.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD19521
Formula: C5H9ON
Smiles:
CC(=O)NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD44099
Formula: C3H9O2NS
Smiles:
CN(C)S(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.18 | Num_heavy_atoms: | 7 |
| TPSA: | 37.38 | NumAromaticRings: | 0 |
