Glycoside
GD018335
Name:
NoneFormula:
C21H21O4N2Smiles:
Cc1c2cc[n+](C3OC[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12Aglycone:
Cc1c2cc[nH+]cc2c(C)c2c1[nH]c1ccc(O)cc12Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 365.41 | Num_heavy_atoms: | 27 |
| TPSA: | 89.59 | 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 |
