Glycoside
GD006061
Name:
NoneFormula:
C20H20O6N2Smiles:
O=[N+]([O-])c1cccc2c1c(Cc1ccccc1)cn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1cccc2[nH]cc(Cc3ccccc3)c12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.39 | Num_heavy_atoms: | 28 |
| TPSA: | 117.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD05051
Formula: C15H12O2N2
Smiles:
O=[N+]([O-])c1cccc2[nH]cc(Cc3ccccc3)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.27 | Num_heavy_atoms: | 19 |
| TPSA: | 58.93 | NumAromaticRings: | 3 |
