Glycoside
GD002462
Name:
NoneFormula:
C22H23O5N2Smiles:
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12Aglycone:
Cc1c2cc[nH+]cc2c(C)c2c1[nH]c1ccc(O)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 395.44 | Num_heavy_atoms: | 29 |
| TPSA: | 109.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD02350
Formula: C17H15ON2
Smiles:
Cc1c2cc[nH+]cc2c(C)c2c1[nH]c1ccc(O)cc12| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 263.32 | Num_heavy_atoms: | 20 |
| TPSA: | 50.16 | NumAromaticRings: | 4 |
