Glycoside
GD020614
Name:
NoneFormula:
C37H41O11N3S2Smiles:
O=S(=O)([O-])c1cc(S(=O)(=O)N[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)ccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3Aglycone:
NS(=O)(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(S(=O)(=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.49 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 767.88 | Num_heavy_atoms: | 53 |
| TPSA: | 209.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD14211
Formula: C31H31O6N3S2
Smiles:
NS(=O)(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(S(=O)(=O)[O-])c1| HBA: | 9 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 605.74 | Num_heavy_atoms: | 42 |
| TPSA: | 132.84 | NumAromaticRings: | 3 |
