Glycoside
GD101812
Name:
NoneFormula:
C22H26O8N2SSmiles:
CC1(c2cccc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)n2)OCCO1Aglycone:
CC1(c2cccc(C(=O)Nc3ccc(S)cc3)n2)OCCO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.52 | Num_heavy_atoms: | 33 |
| TPSA: | 150.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD43110
Formula: C16H16O3N2S
Smiles:
CC1(c2cccc(C(=O)Nc3ccc(S)cc3)n2)OCCO1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.38 | Num_heavy_atoms: | 22 |
| TPSA: | 60.45 | NumAromaticRings: | 2 |
