Glycoside
GD102845
Name:
NoneFormula:
C22H29O8NSSmiles:
CC1(C)[C@]2(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)CC[C@@]1(C)C(=O)O2Aglycone:
CC12CCC(C(=O)Nc3ccc(S)cc3)(OC1=O)C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 467.54 | Num_heavy_atoms: | 32 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD43534
Formula: C16H19O3NS
Smiles:
CC12CCC(C(=O)Nc3ccc(S)cc3)(OC1=O)C2(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.4 | Num_heavy_atoms: | 21 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
