Glycoside
GD095276
Name:
NoneFormula:
C20H34O10N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CC2(C1)C(C(=O)NCCO)CCS2(=O)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.56 | Num_heavy_atoms: | 33 |
| TPSA: | 171.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD40659
Formula: C14H24O6N2S
Smiles:
CC(C)(C)OC(=O)N1CC2(C1)C(C(=O)NCCO)CCS2(=O)=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.42 | Num_heavy_atoms: | 23 |
| TPSA: | 113.01 | NumAromaticRings: | 0 |
