Glycoside
GD095344
Name:
NoneFormula:
C21H33O8N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NCCO)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 487.58 | Num_heavy_atoms: | 33 |
| TPSA: | 148.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD40695
Formula: C15H23O4N3S
Smiles:
CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NCCO)CC1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 341.43 | Num_heavy_atoms: | 23 |
| TPSA: | 89.95 | NumAromaticRings: | 1 |
