Glycoside
GD013004
Name:
NoneFormula:
C23H33O8N3SSmiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)NCCCO)cccc12Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 511.6 | Num_heavy_atoms: | 35 |
| TPSA: | 157.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD05984
Formula: C15H20O3N2S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NCCCO)cccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 308.4 | Num_heavy_atoms: | 21 |
| TPSA: | 69.64 | NumAromaticRings: | 2 |
