Glycoside
GD006398
Name:
NoneFormula:
C12H21O6N3Smiles:
CO[C@@H]1O[C@H](Cn2cc(CCCO)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(CCCO)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 303.31 | Num_heavy_atoms: | 21 |
| TPSA: | 130.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD05303
Formula: C6H11ON3
Smiles:
Cn1cc(CCCO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 141.17 | Num_heavy_atoms: | 10 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
