Glycoside
GD027094
Name:
NoneFormula:
C27H29O9NSSmiles:
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4)oc23)CC1Aglycone:
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4)oc23)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 543.59 | Num_heavy_atoms: | 38 |
| TPSA: | 164.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD17835
Formula: C21H19O4NS
Smiles:
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4)oc23)CC1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 381.45 | Num_heavy_atoms: | 27 |
| TPSA: | 73.91 | NumAromaticRings: | 3 |
