Glycoside
GD148990
Name:
NoneFormula:
C28H35O10N2Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(OOCC(O)C(O)(CN1C=CC2=[NH+]C=CC21)C(O)C(O)CO)C3Aglycone:
CN1C=CC2=[NH+]C=CC21.Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 559.59 | Num_heavy_atoms: | 40 |
| TPSA: | 176.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD12449
Formula: C15H16O4
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
AD47386
Formula: C7H9N2
Smiles:
CN1C=CC2=[NH+]C=CC21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.16 | Num_heavy_atoms: | 9 |
| TPSA: | 17.21 | NumAromaticRings: | 0 |
