Glycoside
GD128181
Name:
Ternatoside CFormula:
C24H23O7N3Smiles:
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2cc(OC3OC(CO)C(O)C(O)C3O)ccc12Aglycone:
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 465.46 | Num_heavy_atoms: | 34 |
| TPSA: | 150.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD48384
Formula: C18H13O2N3
Smiles:
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2cc(O)ccc12| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 303.32 | Num_heavy_atoms: | 23 |
| TPSA: | 70.91 | NumAromaticRings: | 4 |
