Glycoside
GD101023
Name:
NoneFormula:
C22H31O8NSSmiles:
COC(=O)[C@]1(C)CC[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)CC1Aglycone:
COC(=O)C1(C)CCC(C(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.56 | Num_heavy_atoms: | 32 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD42703
Formula: C16H21O3NS
Smiles:
COC(=O)C1(C)CCC(C(=O)Nc2ccc(S)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.42 | Num_heavy_atoms: | 21 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
